Compile Data Set for Download or QSAR

Found 2761 hits Enz. Inhib. hit(s) with Target = 'Envelope glycoprotein gp160'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507068 (CHEMBL4467904) Show SMILES CC(C)(C)OC(=O)c1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C36H32N2O4/c1-36(2,3)42-35(41)31-9-5-7-25(19-31)23-38-17-15-27-11-13-29(21-33(27)38)28-12-10-26-14-16-37(32(26)20-28)22-24-6-4-8-30(18-24)34(39)40/h4-21H,22-23H2,1-3H3,(H,39,40)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507074 (CHEMBL4524345) Show SMILES COC(=O)c1ccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c(OC)c1 Show InChI InChI=1S/C34H28N2O5/c1-40-32-19-28(34(39)41-2)10-11-29(32)21-36-15-13-24-7-9-26(18-31(24)36)25-8-6-23-12-14-35(30(23)17-25)20-22-4-3-5-27(16-22)33(37)38/h3-19H,20-21H2,1-2H3,(H,37,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507066 (CHEMBL4458730) Show SMILES COc1cccc(CN(C(=O)OC(C)(C)C)c2cccc(c2)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C35H34N2O5/c1-35(2,3)42-34(40)37(23-25-9-6-13-31(19-25)41-4)30-12-7-10-27(20-30)28-15-14-26-16-17-36(32(26)21-28)22-24-8-5-11-29(18-24)33(38)39/h5-21H,22-23H2,1-4H3,(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507067 (CHEMBL4518629) Show SMILES COC(=O)c1cccc(Cn2ccc3cc(F)c(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C33H25FN2O4/c1-40-33(39)27-7-3-5-22(15-27)20-36-13-11-25-16-29(34)28(18-31(25)36)24-9-8-23-10-12-35(30(23)17-24)19-21-4-2-6-26(14-21)32(37)38/h2-18H,19-20H2,1H3,(H,37,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507052 (CHEMBL4466565) Show SMILES COc1cc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)cc(c1)C(O)=O Show InChI InChI=1S/C33H26N2O5/c1-40-29-15-22(14-28(16-29)33(38)39)20-35-12-10-24-6-8-26(18-31(24)35)25-7-5-23-9-11-34(30(23)17-25)19-21-3-2-4-27(13-21)32(36)37/h2-18H,19-20H2,1H3,(H,36,37)(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507065 (CHEMBL4464574) Show SMILES COc1cccc(CN(C)c2cccc(c2)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C31H28N2O3/c1-32(20-23-7-4-11-29(17-23)36-2)28-10-5-8-25(18-28)26-13-12-24-14-15-33(30(24)19-26)21-22-6-3-9-27(16-22)31(34)35/h3-19H,20-21H2,1-2H3,(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507053 (CHEMBL4571007) Show SMILES CC(=O)Nc1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C33H27N3O3/c1-22(37)34-30-7-3-5-24(17-30)21-36-15-13-26-9-11-28(19-32(26)36)27-10-8-25-12-14-35(31(25)18-27)20-23-4-2-6-29(16-23)33(38)39/h2-19H,20-21H2,1H3,(H,34,37)(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507047 (CHEMBL4466581) Show SMILES CC(C)(C)OC(=O)N1CCc2ccc(cc12)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C29H28N2O4/c1-29(2,3)35-28(34)31-14-12-21-8-10-23(17-26(21)31)22-9-7-20-11-13-30(25(20)16-22)18-19-5-4-6-24(15-19)27(32)33/h4-11,13,15-17H,12,14,18H2,1-3H3,(H,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507043 (CHEMBL4474469) Show SMILES COC(=O)c1cc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)cc(c1)C(=O)OC Show InChI InChI=1S/C35H28N2O6/c1-42-34(40)29-15-23(16-30(17-29)35(41)43-2)21-37-13-11-25-7-9-27(19-32(25)37)26-8-6-24-10-12-36(31(24)18-26)20-22-4-3-5-28(14-22)33(38)39/h3-19H,20-21H2,1-2H3,(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507060 (CHEMBL4475861) Show SMILES COC(=O)c1cccc(Cn2ncc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C32H25N3O4/c1-39-32(38)27-7-3-5-22(15-27)20-35-30-17-25(10-11-28(30)18-33-35)24-9-8-23-12-13-34(29(23)16-24)19-21-4-2-6-26(14-21)31(36)37/h2-18H,19-20H2,1H3,(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507058 (CHEMBL4575978) Show SMILES COc1cccc(Cn2ccc3ccc(cc23)-c2ccc3cn(Cc4cccc(c4)C(O)=O)nc3c2)c1 Show InChI InChI=1S/C31H25N3O3/c1-37-28-7-3-5-22(15-28)18-33-13-12-23-8-9-25(17-30(23)33)24-10-11-27-20-34(32-29(27)16-24)19-21-4-2-6-26(14-21)31(35)36/h2-17,20H,18-19H2,1H3,(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507049 (CHEMBL4546124) Show SMILES COC(=O)c1cc(F)cc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C33H25FN2O4/c1-40-33(39)28-14-22(15-29(34)16-28)20-36-12-10-24-6-8-26(18-31(24)36)25-7-5-23-9-11-35(30(23)17-25)19-21-3-2-4-27(13-21)32(37)38/h2-18H,19-20H2,1H3,(H,37,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507055 (CHEMBL4445474) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1ccc2ccc(cc12)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C31H24N2O4S/c1-21-5-11-28(12-6-21)38(36,37)33-16-14-24-8-10-26(19-30(24)33)25-9-7-23-13-15-32(29(23)18-25)20-22-3-2-4-27(17-22)31(34)35/h2-19H,20H2,1H3,(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507054 (CHEMBL4454382) Show SMILES CC(C)(C)OC(=O)N1CCC(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)CC1 Show InChI InChI=1S/C35H37N3O4/c1-35(2,3)42-34(41)36-15-11-24(12-16-36)22-37-17-13-26-7-9-28(20-31(26)37)29-10-8-27-14-18-38(32(27)21-29)23-25-5-4-6-30(19-25)33(39)40/h4-10,13-14,17-21,24H,11-12,15-16,22-23H2,1-3H3,(H,39,40)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507072 (CHEMBL4535485) Show SMILES COc1cccc(Cn2ccc3ccc(cc23)-c2ccc3c(C)cn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C33H28N2O3/c1-22-19-35(21-23-5-3-7-28(15-23)33(36)37)32-18-27(11-12-30(22)32)26-10-9-25-13-14-34(31(25)17-26)20-24-6-4-8-29(16-24)38-2/h3-19H,20-21H2,1-2H3,(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507059 (CHEMBL4437889) Show SMILES COc1cccc(CNc2cccc(c2)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C30H26N2O3/c1-35-28-10-3-5-21(16-28)19-31-27-9-4-7-24(17-27)25-12-11-23-13-14-32(29(23)18-25)20-22-6-2-8-26(15-22)30(33)34/h2-18,31H,19-20H2,1H3,(H,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507045 (CHEMBL4444442) Show SMILES CC(C)(C)OC(=O)Nc1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C36H33N3O4/c1-36(2,3)43-35(42)37-31-9-5-7-25(19-31)23-39-17-15-27-11-13-29(21-33(27)39)28-12-10-26-14-16-38(32(26)20-28)22-24-6-4-8-30(18-24)34(40)41/h4-21H,22-23H2,1-3H3,(H,37,42)(H,40,41)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507070 (CHEMBL4458236) Show SMILES CN(C(=O)OC(C)(C)C)c1cccc(c1)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C28H28N2O4/c1-28(2,3)34-27(33)29(4)24-10-6-8-21(16-24)22-12-11-20-13-14-30(25(20)17-22)18-19-7-5-9-23(15-19)26(31)32/h5-17H,18H2,1-4H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507044 (CHEMBL4457770) Show SMILES OC(=O)c1cc(F)cc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(=O)OC(F)(F)F)c3c2)c1 Show InChI InChI=1S/C33H22F4N2O4/c34-28-14-21(13-27(15-28)31(40)41)19-39-11-9-23-5-7-25(17-30(23)39)24-6-4-22-8-10-38(29(22)16-24)18-20-2-1-3-26(12-20)32(42)43-33(35,36)37/h1-17H,18-19H2,(H,40,41)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507069 (CHEMBL4440451) Show SMILES CC(C)(C)OC(=O)n1ccc2ccc(cc12)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C29H26N2O4/c1-29(2,3)35-28(34)31-14-12-21-8-10-23(17-26(21)31)22-9-7-20-11-13-30(25(20)16-22)18-19-5-4-6-24(15-19)27(32)33/h4-17H,18H2,1-3H3,(H,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507048 (CHEMBL4468550) Show SMILES Cn1ccc2cc(F)c(cc12)-c1ccc2ccn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C25H18F2N2O2/c1-28-6-4-18-11-22(27)21(13-23(18)28)17-3-2-16-5-7-29(24(16)12-17)14-15-8-19(25(30)31)10-20(26)9-15/h2-13H,14H2,1H3,(H,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507071 (CHEMBL4442212) Show SMILES Cn1ccc2ccc(cc12)-c1ccc2cnn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C24H18FN3O2/c1-27-7-6-16-2-3-17(11-22(16)27)18-4-5-19-13-26-28(23(19)12-18)14-15-8-20(24(29)30)10-21(25)9-15/h2-13H,14H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507050 (CHEMBL4465870) Show SMILES OC(=O)c1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(OC(F)(F)F)c4)c3c2)c1 Show InChI InChI=1S/C32H23F3N2O3/c33-32(34,35)40-28-6-2-4-22(16-28)20-37-14-12-24-8-10-26(18-30(24)37)25-9-7-23-11-13-36(29(23)17-25)19-21-3-1-5-27(15-21)31(38)39/h1-18H,19-20H2,(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507046 (CHEMBL4548603) Show SMILES Cn1ncc2ccc(cc12)-c1ccc2ccn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C24H18FN3O2/c1-27-22-11-17(4-5-19(22)13-26-27)18-3-2-16-6-7-28(23(16)12-18)14-15-8-20(24(29)30)10-21(25)9-15/h2-13H,14H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507062 (CHEMBL4552770) Show SMILES OC(=O)c1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)[N+]([O-])=O)c3c2)c1 Show InChI InChI=1S/C31H23N3O4/c35-31(36)27-5-1-3-21(15-27)19-32-13-11-23-7-9-25(17-29(23)32)26-10-8-24-12-14-33(30(24)18-26)20-22-4-2-6-28(16-22)34(37)38/h1-18H,19-20H2,(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507061 (CHEMBL4567020) Show SMILES Cn1ccc2ccc(cc12)-c1ccc2ccn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C25H19FN2O2/c1-27-8-6-17-2-4-19(13-23(17)27)20-5-3-18-7-9-28(24(18)14-20)15-16-10-21(25(29)30)12-22(26)11-16/h2-14H,15H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507063 (CHEMBL4459522) Show SMILES Nc1ccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)cc1 Show InChI InChI=1S/C31H25N3O2/c32-28-10-4-21(5-11-28)19-33-14-12-23-6-8-25(17-29(23)33)26-9-7-24-13-15-34(30(24)18-26)20-22-2-1-3-27(16-22)31(35)36/h1-18H,19-20,32H2,(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507042 (CHEMBL4454313) Show SMILES COC(=O)c1cccc(Cn2ccc3ccc(cc23)-c2ccc3cnn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C32H25N3O4/c1-39-32(38)27-7-3-4-21(15-27)19-34-13-12-23-8-9-24(16-29(23)34)25-10-11-28-18-33-35(30(28)17-25)20-22-5-2-6-26(14-22)31(36)37/h2-18H,19-20H2,1H3,(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507041 (CHEMBL4513887) Show SMILES COc1cccc(CN2CCc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C32H28N2O3/c1-37-29-7-3-5-23(17-29)21-34-15-13-25-9-11-27(19-31(25)34)26-10-8-24-12-14-33(30(24)18-26)20-22-4-2-6-28(16-22)32(35)36/h2-12,14,16-19H,13,15,20-21H2,1H3,(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507073 (CHEMBL4592061) Show SMILES Cc1cn(C(=O)OC(C)(C)C)c2cc(ccc12)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C30H28N2O4/c1-19-17-32(29(35)36-30(2,3)4)27-16-23(10-11-25(19)27)22-9-8-21-12-13-31(26(21)15-22)18-20-6-5-7-24(14-20)28(33)34/h5-17H,18H2,1-4H3,(H,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507051 (CHEMBL4591215) Show SMILES COc1cccc(Cn2ccc3cc(F)c(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C32H25FN2O3/c1-38-27-7-3-5-22(15-27)20-35-13-11-25-16-29(33)28(18-31(25)35)24-9-8-23-10-12-34(30(23)17-24)19-21-4-2-6-26(14-21)32(36)37/h2-18H,19-20H2,1H3,(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507056 (CHEMBL4456878) Show SMILES Cn1cc2ccc(cc2n1)-c1ccc2ccn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C24H18FN3O2/c1-27-14-19-5-4-17(11-22(19)26-27)18-3-2-16-6-7-28(23(16)12-18)13-15-8-20(24(29)30)10-21(25)9-15/h2-12,14H,13H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507057 (CHEMBL4473941) Show SMILES Cn1ccc2ccc(cc12)-c1ccc2CCN(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C25H22N2O2/c1-26-11-9-18-5-7-20(14-23(18)26)21-8-6-19-10-12-27(24(19)15-21)16-17-3-2-4-22(13-17)25(28)29/h2-9,11,13-15H,10,12,16H2,1H3,(H,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507064 (CHEMBL4531799) Show SMILES Cn1ncc2ccc(cc12)-c1ccc2cnn(Cc3ccc(F)c(c3)C(O)=O)c2c1 Show InChI InChI=1S/C23H17FN4O2/c1-27-21-9-15(3-5-17(21)11-25-27)16-4-6-18-12-26-28(22(18)10-16)13-14-2-7-20(24)19(8-14)23(29)30/h2-12H,13H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436321 (CHEMBL3037796) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(NCC4CCCCC4)cc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:79.81,58.58,171.178,188.195,26.26,12.12,4.3,100.102,138.141,142.146,143.148,49.173,40.206,wD:87.89,69.70,54.54,180.187,35.205,20.20,119.121,104.106,130.133,149.153,44.44,202.209,(94.89,-52.84,;94.89,-54.38,;96.21,-55.15,;93.55,-55.15,;93.55,-56.7,;92.21,-57.47,;90.88,-56.7,;90.88,-55.15,;89.54,-57.47,;88.21,-56.7,;86.86,-57.47,;86.86,-59.01,;85.54,-56.7,;85.54,-55.15,;86.86,-54.38,;86.86,-52.84,;88.21,-55.15,;84.19,-57.47,;82.87,-56.7,;82.87,-55.15,;81.54,-57.47,;81.54,-59.01,;82.87,-59.79,;80.2,-56.7,;78.85,-57.47,;78.85,-59.01,;77.53,-56.7,;77.53,-55.15,;78.85,-54.38,;78.85,-52.84,;80.2,-52.07,;80.2,-50.54,;76.19,-57.47,;74.86,-56.7,;74.86,-55.15,;73.52,-57.47,;73.52,-59.01,;74.86,-59.79,;71.84,-43.5,;73.23,-42.89,;73.41,-41.35,;74.82,-40.74,;76.06,-41.66,;75.89,-43.19,;77.47,-41.04,;77.66,-39.51,;78.72,-41.96,;80.13,-41.35,;80.3,-39.83,;81.36,-42.26,;81.18,-43.8,;79.79,-44.42,;58.82,-59.79,;57.5,-59.01,;57.5,-57.47,;56.16,-56.7,;54.82,-57.47,;54.82,-59.01,;53.49,-56.7,;53.49,-55.15,;54.82,-54.38,;56.17,-55.16,;57.51,-54.38,;57.49,-52.85,;56.14,-52.09,;54.82,-52.87,;52.16,-57.47,;50.82,-56.7,;50.82,-55.15,;49.49,-57.47,;49.49,-59.01,;50.82,-59.79,;52.21,-59.16,;53.25,-60.3,;52.48,-61.64,;50.99,-61.33,;48.15,-56.7,;46.82,-57.47,;46.82,-59.01,;45.48,-56.7,;45.48,-55.15,;46.82,-54.38,;46.82,-52.84,;48.15,-55.15,;44.15,-57.47,;42.81,-56.7,;42.81,-55.15,;41.48,-57.47,;41.48,-59.01,;42.81,-59.79,;44.15,-59.01,;42.81,-61.32,;40.15,-56.7,;40.14,-55.15,;41.47,-54.38,;38.79,-54.38,;38.8,-52.82,;40.14,-52.04,;96.07,-52.26,;96.02,-50.72,;97.33,-49.9,;98.69,-50.62,;98.74,-52.16,;97.43,-52.98,;100.1,-52.88,;101.4,-52.07,;101.36,-50.53,;102.67,-49.72,;102.63,-48.17,;103.93,-47.36,;105.29,-48.09,;103.88,-45.82,;100.15,-54.43,;101.51,-55.16,;102.82,-54.34,;101.57,-56.69,;100.23,-57.47,;98.88,-56.7,;98.88,-55.15,;97.56,-57.47,;97.56,-59.01,;98.88,-59.79,;98.88,-61.32,;100.23,-59.01,;96.21,-56.7,;94.89,-57.47,;94.89,-59.01,;97.28,-48.36,;98.59,-47.55,;95.92,-47.63,;95.87,-46.09,;97.17,-45.28,;94.51,-45.37,;93.2,-46.19,;94.46,-43.83,;95.81,-42.69,;95.14,-41.15,;93.47,-41.33,;93.39,-42.88,;91.98,-43.5,;91.8,-45.01,;90.75,-42.56,;89.32,-43.18,;89.15,-44.73,;90.39,-45.62,;87.74,-45.32,;88.1,-42.26,;88.27,-40.73,;86.67,-42.88,;85.43,-41.96,;85.62,-40.44,;84.38,-39.51,;84.54,-37.98,;83.28,-37.08,;81.89,-37.71,;80.65,-36.82,;79.26,-37.44,;78.03,-36.54,;78.2,-35.02,;76.97,-34.13,;75.58,-34.74,;75.41,-36.26,;76.64,-37.16,;81.72,-39.23,;82.98,-40.13,;84.02,-42.57,;83.85,-44.1,;82.79,-41.65,;58.82,-56.7,;58.82,-55.15,;60.16,-57.47,;61.5,-56.7,;61.5,-55.15,;62.84,-54.38,;62.84,-52.84,;61.5,-52.07,;64.16,-52.07,;62.84,-57.47,;62.84,-59.01,;64.16,-56.7,;65.51,-57.47,;65.51,-59.01,;66.85,-59.79,;66.85,-61.32,;68.19,-59.01,;66.85,-56.7,;66.85,-55.15,;68.19,-57.47,;69.53,-56.7,;69.53,-55.15,;70.85,-54.38,;70.85,-52.84,;72.18,-52.07,;72.18,-50.54,;70.85,-49.77,;73.52,-49.77,;70.85,-57.47,;70.85,-59.01,;72.18,-56.7,;72.17,-40.44,;72.35,-38.91,;70.77,-41.04,;69.54,-40.13,;69.72,-38.59,;68.47,-37.67,;71.12,-37.98,;68.12,-40.73,;66.87,-39.83,;67.94,-42.28,)| Show InChI InChI=1S/C133H213N39O31S6/c1-67(2)47-85-110(182)146-58-104(178)151-81(32-24-43-143-132(138)139)112(184)166-95-61-205-204-46-41-103(177)152-93(55-102(136)176)122(194)160-89(51-71(9)10)118(190)162-92(54-80-57-142-66-148-80)121(193)161-90(52-76-27-18-16-19-28-76)119(191)169-98-64-208-206-62-96(168-120(192)91(53-77-35-37-79(38-36-77)145-56-78-29-20-17-21-30-78)163-130(202)107(75(15)174)171-129(201)100-34-26-45-172(100)131(203)74(14)150-125(95)197)124(196)149-73(13)109(181)165-99(128(200)170-106(72(11)12)108(137)180)65-209-207-63-97(167-114(186)83(33-25-44-144-133(140)141)154-117(189)88(50-70(7)8)159-115(187)84(156-127(98)199)39-40-101(135)175)126(198)155-82(31-22-23-42-134)113(185)164-94(60-173)123(195)158-86(48-68(3)4)111(183)147-59-105(179)153-87(49-69(5)6)116(188)157-85/h16,18-19,27-28,35-38,57,66-75,78,81-100,106-107,145,173-174H,17,20-26,29-34,39-56,58-65,134H2,1-15H3,(H2,135,175)(H2,136,176)(H2,137,180)(H,142,148)(H,146,182)(H,147,183)(H,149,196)(H,150,197)(H,151,178)(H,152,177)(H,153,179)(H,154,189)(H,155,198)(H,156,199)(H,157,188)(H,158,195)(H,159,187)(H,160,194)(H,161,193)(H,162,190)(H,163,202)(H,164,185)(H,165,181)(H,166,184)(H,167,186)(H,168,192)(H,169,191)(H,170,200)(H,171,201)(H4,138,139,143)(H4,140,141,144)/t73-,74-,75+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100+,106-,107-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436320 (CHEMBL3037792) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OCCSCCO)cc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:79.81,58.58,170.176,187.193,26.26,12.12,4.3,100.102,138.141,142.146,143.148,49.171,40.204,wD:87.89,69.70,54.54,179.185,35.203,20.20,119.121,104.106,130.133,149.153,44.44,201.207,(62.14,-79.85,;62.14,-81.39,;63.46,-82.15,;60.79,-82.15,;60.79,-83.7,;59.46,-84.47,;58.12,-83.7,;58.12,-82.15,;56.79,-84.47,;55.45,-83.7,;54.11,-84.47,;54.11,-86.01,;52.78,-83.7,;52.78,-82.15,;54.11,-81.39,;54.11,-79.85,;55.45,-82.15,;51.44,-84.47,;50.12,-83.7,;50.12,-82.15,;48.78,-84.47,;48.78,-86.01,;50.12,-86.79,;47.45,-83.7,;46.1,-84.47,;46.1,-86.01,;44.78,-83.7,;44.78,-82.15,;46.1,-81.39,;46.1,-79.85,;47.45,-79.08,;47.45,-77.54,;43.43,-84.47,;42.11,-83.7,;42.11,-82.15,;40.76,-84.47,;40.76,-86.01,;42.11,-86.79,;39.08,-70.5,;40.47,-69.89,;40.66,-68.36,;42.07,-67.75,;43.31,-68.66,;43.14,-70.19,;44.72,-68.04,;44.91,-66.52,;45.96,-68.97,;47.37,-68.36,;47.55,-66.83,;48.61,-69.26,;48.43,-70.81,;47.03,-71.42,;26.06,-86.79,;24.75,-86.01,;24.75,-84.47,;23.4,-83.7,;22.07,-84.47,;22.07,-86.01,;20.74,-83.7,;20.74,-82.15,;22.07,-81.39,;23.41,-82.17,;24.75,-81.39,;24.73,-79.86,;23.39,-79.1,;22.07,-79.88,;19.4,-84.47,;18.07,-83.7,;18.07,-82.15,;16.73,-84.47,;16.73,-86.01,;18.07,-86.79,;19.45,-86.17,;20.5,-87.31,;19.73,-88.64,;18.24,-88.33,;15.4,-83.7,;14.06,-84.47,;14.06,-86.01,;12.73,-83.7,;12.73,-82.15,;14.06,-81.39,;14.06,-79.85,;15.4,-82.15,;11.39,-84.47,;10.06,-83.7,;10.06,-82.15,;8.73,-84.47,;8.73,-86.01,;10.06,-86.79,;11.39,-86.01,;10.06,-88.33,;7.39,-83.7,;7.39,-82.15,;8.72,-81.38,;6.03,-81.39,;6.04,-79.83,;7.39,-79.04,;63.32,-79.27,;63.26,-77.72,;64.58,-76.9,;65.94,-77.63,;65.99,-79.17,;64.67,-79.99,;67.34,-79.89,;68.65,-79.07,;68.61,-77.54,;69.92,-76.72,;69.87,-75.18,;71.18,-74.37,;72.54,-75.09,;71.12,-72.83,;67.4,-81.43,;68.76,-82.16,;70.06,-81.35,;68.81,-83.7,;67.47,-84.47,;66.13,-83.7,;66.13,-82.15,;64.81,-84.47,;64.81,-86.01,;66.13,-86.79,;66.13,-88.33,;67.47,-86.01,;63.46,-83.7,;62.14,-84.47,;62.14,-86.01,;64.53,-75.36,;65.83,-74.55,;63.17,-74.64,;63.11,-73.1,;64.42,-72.29,;61.76,-72.37,;60.44,-73.19,;61.7,-70.83,;63.06,-69.7,;62.38,-68.15,;60.71,-68.33,;60.64,-69.88,;59.23,-70.5,;59.05,-72.02,;57.99,-69.57,;56.57,-70.19,;56.39,-71.73,;57.64,-72.63,;54.98,-72.33,;55.34,-69.27,;55.51,-67.74,;53.92,-69.88,;52.68,-68.97,;52.87,-67.44,;51.62,-66.52,;51.79,-64.98,;50.53,-64.09,;49.13,-64.72,;47.9,-63.82,;46.51,-64.44,;45.28,-63.55,;43.88,-64.17,;42.65,-63.27,;41.26,-63.89,;40.02,-62.99,;48.96,-66.23,;50.22,-67.14,;51.27,-69.58,;51.09,-71.11,;50.04,-68.66,;26.06,-83.7,;26.06,-82.15,;27.41,-84.47,;28.74,-83.7,;28.74,-82.15,;30.09,-81.39,;30.09,-79.85,;28.74,-79.08,;31.41,-79.08,;30.09,-84.47,;30.09,-86.01,;31.41,-83.7,;32.76,-84.47,;32.76,-86.01,;34.09,-86.79,;34.09,-88.33,;35.44,-86.01,;34.09,-83.7,;34.09,-82.15,;35.44,-84.47,;36.77,-83.7,;36.77,-82.15,;38.09,-81.39,;38.09,-79.85,;39.43,-79.08,;39.43,-77.54,;38.09,-76.77,;40.76,-76.77,;38.09,-84.47,;38.09,-86.01,;39.43,-83.7,;39.42,-67.44,;39.59,-65.92,;38.01,-68.04,;36.79,-67.14,;36.96,-65.6,;35.72,-64.68,;38.37,-64.98,;35.37,-67.74,;34.12,-66.83,;35.19,-69.28,)| Show InChI InChI=1S/C130H208N38O33S7/c1-65(2)46-82-107(179)142-56-101(175)147-78(27-21-38-140-129(135)136)109(181)162-92-59-204-203-43-36-100(174)148-90(54-99(133)173)119(191)156-86(50-69(9)10)115(187)158-89(53-76-55-139-64-144-76)118(190)157-87(51-74-24-17-16-18-25-74)116(188)165-95-62-207-205-60-93(164-117(189)88(52-75-30-32-77(33-31-75)201-42-45-202-44-41-169)159-127(199)104(73(15)171)167-126(198)97-29-23-40-168(97)128(200)72(14)146-122(92)194)121(193)145-71(13)106(178)161-96(125(197)166-103(70(11)12)105(134)177)63-208-206-61-94(163-111(183)80(28-22-39-141-130(137)138)150-114(186)85(49-68(7)8)155-112(184)81(152-124(95)196)34-35-98(132)172)123(195)151-79(26-19-20-37-131)110(182)160-91(58-170)120(192)154-83(47-66(3)4)108(180)143-57-102(176)149-84(48-67(5)6)113(185)153-82/h16-18,24-25,30-33,55,64-73,78-97,103-104,169-171H,19-23,26-29,34-54,56-63,131H2,1-15H3,(H2,132,172)(H2,133,173)(H2,134,177)(H,139,144)(H,142,179)(H,143,180)(H,145,193)(H,146,194)(H,147,175)(H,148,174)(H,149,176)(H,150,186)(H,151,195)(H,152,196)(H,153,185)(H,154,192)(H,155,184)(H,156,191)(H,157,190)(H,158,187)(H,159,199)(H,160,182)(H,161,178)(H,162,181)(H,163,183)(H,164,189)(H,165,188)(H,166,197)(H,167,198)(H4,135,136,140)(H4,137,138,141)/t71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,103-,104-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436319 (CHEMBL3037791) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OCCCCCO)cc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:79.81,58.58,170.176,187.193,26.26,12.12,4.3,100.102,138.141,142.146,143.148,49.171,40.204,wD:87.89,69.70,54.54,179.185,35.203,20.20,119.121,104.106,130.133,149.153,44.44,201.207,(61.38,-48.03,;61.38,-49.57,;62.7,-50.34,;60.03,-50.34,;60.03,-51.88,;58.7,-52.65,;57.37,-51.88,;57.37,-50.34,;56.03,-52.65,;54.7,-51.88,;53.35,-52.65,;53.35,-54.19,;52.03,-51.88,;52.03,-50.34,;53.35,-49.57,;53.35,-48.03,;54.7,-50.34,;50.68,-52.65,;49.36,-51.88,;49.36,-50.34,;48.02,-52.65,;48.02,-54.19,;49.36,-54.97,;46.69,-51.88,;45.34,-52.65,;45.34,-54.19,;44.02,-51.88,;44.02,-50.34,;45.34,-49.57,;45.34,-48.03,;46.69,-47.26,;46.69,-45.72,;42.67,-52.65,;41.35,-51.88,;41.35,-50.34,;40.01,-52.65,;40.01,-54.19,;41.35,-54.97,;38.33,-38.68,;39.72,-38.07,;39.9,-36.54,;41.31,-35.93,;42.55,-36.84,;42.38,-38.37,;43.96,-36.22,;44.15,-34.7,;45.2,-37.15,;46.62,-36.54,;46.79,-35.01,;47.85,-37.44,;47.67,-38.99,;46.28,-39.6,;25.3,-54.97,;23.99,-54.19,;23.99,-52.65,;22.65,-51.88,;21.31,-52.65,;21.31,-54.19,;19.98,-51.88,;19.98,-50.34,;21.31,-49.57,;22.65,-50.35,;24,-49.57,;23.98,-48.04,;22.63,-47.28,;21.31,-48.06,;18.64,-52.65,;17.31,-51.88,;17.31,-50.34,;15.97,-52.65,;15.97,-54.19,;17.31,-54.97,;18.69,-54.35,;19.74,-55.49,;18.97,-56.82,;17.48,-56.51,;14.64,-51.88,;13.31,-52.65,;13.31,-54.19,;11.97,-51.88,;11.97,-50.34,;13.31,-49.57,;13.31,-48.03,;14.64,-50.34,;10.64,-52.65,;9.3,-51.88,;9.3,-50.34,;7.97,-52.65,;7.97,-54.19,;9.3,-54.97,;10.64,-54.19,;9.3,-56.51,;6.63,-51.88,;6.63,-50.34,;7.96,-49.56,;5.28,-49.57,;5.29,-48.01,;6.63,-47.22,;62.56,-47.45,;62.51,-45.9,;63.82,-45.08,;65.18,-45.81,;65.23,-47.35,;63.92,-48.17,;66.58,-48.07,;67.89,-47.25,;67.85,-45.72,;69.16,-44.9,;69.12,-43.36,;70.42,-42.55,;71.78,-43.27,;70.37,-41.01,;66.64,-49.62,;68,-50.34,;69.31,-49.53,;68.05,-51.88,;66.72,-52.65,;65.37,-51.88,;65.37,-50.34,;64.05,-52.65,;64.05,-54.19,;65.37,-54.97,;65.37,-56.51,;66.72,-54.19,;62.7,-51.88,;61.38,-52.65,;61.38,-54.19,;63.77,-43.55,;65.07,-42.73,;62.41,-42.82,;62.36,-41.28,;63.66,-40.47,;61,-40.55,;59.68,-41.37,;60.95,-39.01,;62.3,-37.88,;61.63,-36.34,;59.96,-36.51,;59.88,-38.06,;58.47,-38.68,;58.29,-40.2,;57.24,-37.75,;55.81,-38.37,;55.64,-39.91,;56.88,-40.81,;54.23,-40.51,;54.58,-37.45,;54.76,-35.92,;53.16,-38.06,;51.92,-37.15,;52.11,-35.62,;50.87,-34.7,;51.03,-33.16,;49.77,-32.27,;48.38,-32.9,;47.14,-32,;45.75,-32.62,;44.52,-31.73,;43.13,-32.35,;41.89,-31.45,;40.5,-32.07,;39.27,-31.17,;48.21,-34.41,;49.46,-35.32,;50.51,-37.76,;50.34,-39.29,;49.28,-36.84,;25.3,-51.88,;25.3,-50.34,;26.65,-52.65,;27.98,-51.88,;27.98,-50.34,;29.33,-49.57,;29.33,-48.03,;27.98,-47.26,;30.65,-47.26,;29.33,-52.65,;29.33,-54.19,;30.65,-51.88,;32,-52.65,;32,-54.19,;33.33,-54.97,;33.33,-56.51,;34.68,-54.19,;33.33,-51.88,;33.33,-50.34,;34.68,-52.65,;36.01,-51.88,;36.01,-50.34,;37.34,-49.57,;37.34,-48.03,;38.67,-47.26,;38.67,-45.72,;37.34,-44.95,;40.01,-44.95,;37.34,-52.65,;37.34,-54.19,;38.67,-51.88,;38.66,-35.62,;38.83,-34.1,;37.26,-36.23,;36.03,-35.32,;36.21,-33.78,;34.96,-32.86,;37.61,-33.16,;34.61,-35.92,;33.36,-35.01,;34.43,-37.46,)| Show InChI InChI=1S/C131H210N38O33S6/c1-66(2)47-83-108(180)143-57-102(176)148-79(30-24-41-141-130(136)137)110(182)163-93-60-204-203-46-39-101(175)149-91(55-100(134)174)120(192)157-87(51-70(9)10)116(188)159-90(54-77-56-140-65-145-77)119(191)158-88(52-75-27-18-16-19-28-75)117(189)166-96-63-207-205-61-94(165-118(190)89(53-76-33-35-78(36-34-76)202-45-23-17-22-44-170)160-128(200)105(74(15)172)168-127(199)98-32-26-43-169(98)129(201)73(14)147-123(93)195)122(194)146-72(13)107(179)162-97(126(198)167-104(71(11)12)106(135)178)64-208-206-62-95(164-112(184)81(31-25-42-142-131(138)139)151-115(187)86(50-69(7)8)156-113(185)82(153-125(96)197)37-38-99(133)173)124(196)152-80(29-20-21-40-132)111(183)161-92(59-171)121(193)155-84(48-67(3)4)109(181)144-58-103(177)150-85(49-68(5)6)114(186)154-83/h16,18-19,27-28,33-36,56,65-74,79-98,104-105,170-172H,17,20-26,29-32,37-55,57-64,132H2,1-15H3,(H2,133,173)(H2,134,174)(H2,135,178)(H,140,145)(H,143,180)(H,144,181)(H,146,194)(H,147,195)(H,148,176)(H,149,175)(H,150,177)(H,151,187)(H,152,196)(H,153,197)(H,154,186)(H,155,193)(H,156,185)(H,157,192)(H,158,191)(H,159,188)(H,160,200)(H,161,183)(H,162,179)(H,163,182)(H,164,184)(H,165,190)(H,166,189)(H,167,198)(H,168,199)(H4,136,137,141)(H4,138,139,142)/t72-,73-,74+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,104-,105-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436318 (CHEMBL3037787) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OCCc4ccccc4)cc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:79.81,58.58,172.179,189.196,26.26,12.12,4.3,100.102,138.141,142.146,143.148,49.174,40.207,wD:87.89,69.70,54.54,181.188,35.206,20.20,119.121,104.106,130.133,149.153,44.44,203.210,(60.09,-21.23,;60.09,-22.77,;61.41,-23.54,;58.74,-23.54,;58.74,-25.09,;57.4,-25.86,;56.07,-25.09,;56.07,-23.54,;54.74,-25.86,;53.4,-25.09,;52.06,-25.86,;52.06,-27.4,;50.73,-25.09,;50.73,-23.54,;52.06,-22.77,;52.06,-21.23,;53.4,-23.54,;49.39,-25.86,;48.06,-25.09,;48.06,-23.54,;46.73,-25.86,;46.73,-27.4,;48.06,-28.18,;45.4,-25.09,;44.05,-25.86,;44.05,-27.4,;42.73,-25.09,;42.73,-23.54,;44.05,-22.77,;44.05,-21.23,;45.4,-20.47,;45.4,-18.93,;41.38,-25.86,;40.06,-25.09,;40.06,-23.54,;38.71,-25.86,;38.71,-27.4,;40.06,-28.18,;37.03,-11.89,;38.42,-11.28,;38.61,-9.75,;40.02,-9.14,;41.26,-10.05,;41.08,-11.58,;42.67,-9.43,;42.86,-7.91,;43.91,-10.36,;45.32,-9.74,;45.5,-8.22,;46.56,-10.65,;46.38,-12.19,;44.98,-12.81,;24.01,-28.18,;22.7,-27.4,;22.7,-25.86,;21.36,-25.09,;20.02,-25.86,;20.02,-27.4,;18.69,-25.09,;18.69,-23.54,;20.02,-22.77,;21.36,-23.55,;22.7,-22.77,;22.69,-21.24,;21.34,-20.48,;20.02,-21.26,;17.35,-25.86,;16.02,-25.09,;16.02,-23.54,;14.68,-25.86,;14.68,-27.4,;16.02,-28.18,;17.4,-27.55,;18.45,-28.69,;17.68,-30.03,;16.19,-29.72,;13.35,-25.09,;12.02,-25.86,;12.02,-27.4,;10.68,-25.09,;10.68,-23.54,;12.02,-22.77,;12.02,-21.23,;13.35,-23.54,;9.35,-25.86,;8.01,-25.09,;8.01,-23.54,;6.68,-25.86,;6.68,-27.4,;8.01,-28.18,;9.35,-27.4,;8.01,-29.71,;5.34,-25.09,;5.34,-23.54,;6.67,-22.77,;3.99,-22.77,;4,-21.21,;5.34,-20.43,;61.27,-20.66,;61.21,-19.11,;62.53,-18.29,;63.88,-19.02,;63.94,-20.55,;62.62,-21.37,;65.29,-21.27,;66.59,-20.46,;66.56,-18.92,;67.86,-18.11,;67.82,-16.56,;69.12,-15.75,;70.48,-16.48,;69.07,-14.21,;65.35,-22.82,;66.71,-23.55,;68.01,-22.73,;66.76,-25.09,;65.42,-25.86,;64.08,-25.09,;64.08,-23.54,;62.75,-25.86,;62.75,-27.4,;64.08,-28.18,;64.08,-29.71,;65.42,-27.4,;61.41,-25.09,;60.09,-25.86,;60.09,-27.4,;62.47,-16.75,;63.78,-15.94,;61.12,-16.02,;61.06,-14.49,;62.37,-13.67,;59.7,-13.76,;58.39,-14.58,;59.65,-12.22,;61.01,-11.08,;60.33,-9.54,;58.66,-9.72,;58.58,-11.27,;57.18,-11.89,;57,-13.41,;55.94,-10.96,;54.52,-11.57,;54.34,-13.12,;55.58,-14.02,;52.93,-13.71,;53.29,-10.65,;53.46,-9.13,;51.87,-11.27,;50.63,-10.35,;50.82,-8.83,;49.57,-7.9,;49.74,-6.37,;48.48,-5.47,;47.08,-6.1,;45.85,-5.21,;44.46,-5.83,;43.22,-4.93,;43.38,-3.42,;44.78,-2.8,;44.94,-1.29,;43.71,-.39,;42.31,-1.02,;42.16,-2.53,;46.91,-7.62,;48.17,-8.53,;49.21,-10.96,;49.04,-12.49,;47.99,-10.04,;24.01,-25.09,;24.01,-23.54,;25.36,-25.86,;26.69,-25.09,;26.69,-23.54,;28.04,-22.77,;28.04,-21.23,;26.69,-20.47,;29.36,-20.47,;28.04,-25.86,;28.04,-27.4,;29.36,-25.09,;30.71,-25.86,;30.71,-27.4,;32.04,-28.18,;32.04,-29.71,;33.39,-27.4,;32.04,-25.09,;32.04,-23.54,;33.39,-25.86,;34.72,-25.09,;34.72,-23.54,;36.04,-22.77,;36.04,-21.23,;37.38,-20.47,;37.38,-18.93,;36.04,-18.16,;38.71,-18.16,;36.04,-25.86,;36.04,-27.4,;37.38,-25.09,;37.37,-8.83,;37.54,-7.3,;35.96,-9.43,;34.74,-8.53,;34.91,-6.98,;33.67,-6.07,;36.32,-6.37,;33.32,-9.13,;32.07,-8.22,;33.14,-10.67,)| Show InChI InChI=1S/C134H208N38O32S6/c1-68(2)49-86-111(182)146-59-105(178)151-82(32-24-44-144-133(139)140)113(184)166-96-62-206-205-48-42-104(177)152-94(57-103(137)176)123(194)160-90(53-72(9)10)119(190)162-93(56-80-58-143-67-148-80)122(193)161-91(54-78-29-20-17-21-30-78)120(191)169-99-65-209-207-63-97(168-121(192)92(55-79-35-37-81(38-36-79)204-47-41-77-27-18-16-19-28-77)163-131(202)108(76(15)174)171-130(201)101-34-26-46-172(101)132(203)75(14)150-126(96)197)125(196)149-74(13)110(181)165-100(129(200)170-107(73(11)12)109(138)180)66-210-208-64-98(167-115(186)84(33-25-45-145-134(141)142)154-118(189)89(52-71(7)8)159-116(187)85(156-128(99)199)39-40-102(136)175)127(198)155-83(31-22-23-43-135)114(185)164-95(61-173)124(195)158-87(50-69(3)4)112(183)147-60-106(179)153-88(51-70(5)6)117(188)157-86/h16-21,27-30,35-38,58,67-76,82-101,107-108,173-174H,22-26,31-34,39-57,59-66,135H2,1-15H3,(H2,136,175)(H2,137,176)(H2,138,180)(H,143,148)(H,146,182)(H,147,183)(H,149,196)(H,150,197)(H,151,178)(H,152,177)(H,153,179)(H,154,189)(H,155,198)(H,156,199)(H,157,188)(H,158,195)(H,159,187)(H,160,194)(H,161,193)(H,162,190)(H,163,202)(H,164,185)(H,165,181)(H,166,184)(H,167,186)(H,168,192)(H,169,191)(H,170,200)(H,171,201)(H4,139,140,144)(H4,141,142,145)/t74-,75-,76+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,107-,108-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50109354 (CHEMBL3600949) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences& Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV-1 HXB2 gp41 N-terminal heptad repeat-mediated fusion between infected HL2/3 cells to target TZM-bl cells after 6 hrs by luciferase ...				J Med Chem 58: 6378-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00109 BindingDB Entry DOI: 10.7270/Q2HH6MVC
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436317 (CHEMBL3037785) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OCC4CCCCC4)cc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:79.81,58.58,171.178,188.195,26.26,12.12,4.3,100.102,138.141,142.146,143.148,49.173,40.206,wD:87.89,69.70,54.54,180.187,35.205,20.20,119.121,104.106,130.133,149.153,44.44,202.209,(61.22,-50.95,;61.22,-52.49,;62.54,-53.26,;59.87,-53.26,;59.87,-54.81,;58.53,-55.58,;57.2,-54.81,;57.2,-53.26,;55.87,-55.58,;54.53,-54.81,;53.18,-55.58,;53.18,-57.11,;51.86,-54.81,;51.86,-53.26,;53.18,-52.49,;53.18,-50.95,;54.53,-53.26,;50.52,-55.58,;49.19,-54.81,;49.19,-53.26,;47.86,-55.58,;47.86,-57.11,;49.19,-57.89,;46.52,-54.81,;45.18,-55.58,;45.18,-57.11,;43.86,-54.81,;43.86,-53.26,;45.18,-52.49,;45.18,-50.95,;46.52,-50.18,;46.52,-48.64,;42.51,-55.58,;41.19,-54.81,;41.19,-53.26,;39.84,-55.58,;39.84,-57.11,;41.19,-57.89,;38.16,-41.61,;39.55,-41,;39.73,-39.46,;41.15,-38.85,;42.39,-39.77,;42.21,-41.29,;43.79,-39.15,;43.98,-37.62,;45.04,-40.07,;46.45,-39.46,;46.63,-37.93,;47.69,-40.37,;47.51,-41.91,;46.11,-42.52,;25.14,-57.89,;23.83,-57.11,;23.83,-55.58,;22.48,-54.81,;21.15,-55.58,;21.15,-57.11,;19.81,-54.81,;19.81,-53.26,;21.15,-52.49,;22.49,-53.27,;23.83,-52.49,;23.81,-50.96,;22.47,-50.2,;21.15,-50.98,;18.48,-55.58,;17.14,-54.81,;17.14,-53.26,;15.81,-55.58,;15.81,-57.11,;17.14,-57.89,;18.53,-57.27,;19.58,-58.41,;18.81,-59.75,;17.32,-59.43,;14.48,-54.81,;13.14,-55.58,;13.14,-57.11,;11.81,-54.81,;11.81,-53.26,;13.14,-52.49,;13.14,-50.95,;14.48,-53.26,;10.47,-55.58,;9.14,-54.81,;9.14,-53.26,;7.8,-55.58,;7.8,-57.11,;9.14,-57.89,;10.47,-57.11,;9.14,-59.43,;6.47,-54.81,;6.47,-53.26,;7.8,-52.49,;5.11,-52.49,;5.12,-50.93,;6.46,-50.15,;62.4,-50.37,;62.34,-48.83,;63.66,-48.01,;65.01,-48.73,;65.07,-50.27,;63.75,-51.09,;66.42,-50.99,;67.72,-50.17,;67.69,-48.64,;68.99,-47.83,;68.95,-46.28,;70.26,-45.47,;71.61,-46.19,;70.2,-43.93,;66.48,-52.54,;67.84,-53.26,;69.14,-52.45,;67.89,-54.8,;66.55,-55.58,;65.21,-54.81,;65.21,-53.26,;63.88,-55.58,;63.88,-57.11,;65.21,-57.89,;65.21,-59.43,;66.55,-57.11,;62.54,-54.81,;61.22,-55.58,;61.22,-57.11,;63.6,-46.47,;64.91,-45.65,;62.25,-45.74,;62.19,-44.2,;63.5,-43.39,;60.83,-43.48,;59.52,-44.3,;60.78,-41.94,;62.14,-40.8,;61.46,-39.26,;59.79,-39.43,;59.71,-40.98,;58.31,-41.6,;58.13,-43.12,;57.07,-40.67,;55.65,-41.29,;55.47,-42.83,;56.71,-43.73,;54.06,-43.43,;54.42,-40.37,;54.59,-38.84,;53,-40.99,;51.76,-40.07,;51.95,-38.55,;50.7,-37.62,;50.87,-36.08,;49.61,-35.19,;48.21,-35.82,;46.98,-34.92,;45.59,-35.54,;44.35,-34.65,;44.52,-33.13,;43.3,-32.24,;41.9,-32.85,;41.74,-34.37,;42.97,-35.27,;48.04,-37.33,;49.3,-38.24,;50.34,-40.68,;50.17,-42.21,;49.11,-39.76,;25.14,-54.81,;25.14,-53.26,;26.48,-55.58,;27.82,-54.81,;27.82,-53.26,;29.17,-52.49,;29.17,-50.95,;27.82,-50.18,;30.49,-50.18,;29.17,-55.58,;29.17,-57.11,;30.49,-54.81,;31.83,-55.58,;31.83,-57.11,;33.17,-57.89,;33.17,-59.43,;34.52,-57.11,;33.17,-54.81,;33.17,-53.26,;34.52,-55.58,;35.85,-54.81,;35.85,-53.26,;37.17,-52.49,;37.17,-50.95,;38.51,-50.18,;38.51,-48.64,;37.17,-47.88,;39.84,-47.88,;37.17,-55.58,;37.17,-57.11,;38.51,-54.81,;38.49,-38.55,;38.67,-37.02,;37.09,-39.15,;35.87,-38.24,;36.04,-36.7,;34.8,-35.78,;37.44,-36.09,;34.45,-38.84,;33.19,-37.94,;34.27,-40.39,)| Show InChI InChI=1S/C133H212N38O32S6/c1-67(2)47-85-110(181)145-57-104(177)150-81(32-24-43-143-132(138)139)112(183)165-95-61-205-204-46-41-103(176)151-93(55-102(136)175)122(193)159-89(51-71(9)10)118(189)161-92(54-79-56-142-66-147-79)121(192)160-90(52-76-27-18-16-19-28-76)119(190)168-98-64-208-206-62-96(167-120(191)91(53-77-35-37-80(38-36-77)203-60-78-29-20-17-21-30-78)162-130(201)107(75(15)173)170-129(200)100-34-26-45-171(100)131(202)74(14)149-125(95)196)124(195)148-73(13)109(180)164-99(128(199)169-106(72(11)12)108(137)179)65-209-207-63-97(166-114(185)83(33-25-44-144-133(140)141)153-117(188)88(50-70(7)8)158-115(186)84(155-127(98)198)39-40-101(135)174)126(197)154-82(31-22-23-42-134)113(184)163-94(59-172)123(194)157-86(48-68(3)4)111(182)146-58-105(178)152-87(49-69(5)6)116(187)156-85/h16,18-19,27-28,35-38,56,66-75,78,81-100,106-107,172-173H,17,20-26,29-34,39-55,57-65,134H2,1-15H3,(H2,135,174)(H2,136,175)(H2,137,179)(H,142,147)(H,145,181)(H,146,182)(H,148,195)(H,149,196)(H,150,177)(H,151,176)(H,152,178)(H,153,188)(H,154,197)(H,155,198)(H,156,187)(H,157,194)(H,158,186)(H,159,193)(H,160,192)(H,161,189)(H,162,201)(H,163,184)(H,164,180)(H,165,183)(H,166,185)(H,167,191)(H,168,190)(H,169,199)(H,170,200)(H4,138,139,143)(H4,140,141,144)/t73-,74-,75+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100+,106-,107-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50109364 (CHEMBL529902) Show SMILES [H][C@](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences& Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV-1 HXB2 gp41 N-terminal heptad repeat-mediated fusion between infected HL2/3 cells to target TZM-bl cells after 6 hrs by luciferase ...				J Med Chem 58: 6378-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00109 BindingDB Entry DOI: 10.7270/Q2HH6MVC
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50109363 (CHEMBL3600950) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences& Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV-1 HXB2 gp41 N-terminal heptad repeat-mediated fusion between infected HL2/3 cells to target TZM-bl cells after 6 hrs by luciferase ...				J Med Chem 58: 6378-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00109 BindingDB Entry DOI: 10.7270/Q2HH6MVC
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436316 (CHEMBL3037786) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OCCC4CCCC4)cc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:79.81,58.58,171.178,188.195,26.26,12.12,4.3,100.102,138.141,142.146,143.148,49.173,40.206,wD:87.89,69.70,54.54,180.187,35.205,20.20,119.121,104.106,130.133,149.153,44.44,202.209,(63.01,-80.03,;63.01,-81.56,;64.34,-82.33,;61.67,-82.33,;61.67,-83.88,;60.33,-84.65,;59,-83.88,;59,-82.33,;57.66,-84.65,;56.33,-83.88,;54.98,-84.65,;54.98,-86.19,;53.66,-83.88,;53.66,-82.33,;54.98,-81.56,;54.98,-80.03,;56.33,-82.33,;52.31,-84.65,;50.99,-83.88,;50.99,-82.33,;49.66,-84.65,;49.66,-86.19,;50.99,-86.97,;48.32,-83.88,;46.98,-84.65,;46.98,-86.19,;45.65,-83.88,;45.65,-82.33,;46.98,-81.56,;46.98,-80.03,;48.32,-79.26,;48.32,-77.72,;44.31,-84.65,;42.98,-83.88,;42.98,-82.33,;41.64,-84.65,;41.64,-86.19,;42.98,-86.97,;39.96,-70.68,;41.35,-70.07,;41.53,-68.54,;42.95,-67.93,;44.18,-68.84,;44.01,-70.37,;45.59,-68.22,;45.78,-66.7,;46.84,-69.15,;48.25,-68.54,;48.42,-67.01,;49.48,-69.44,;49.31,-70.98,;47.91,-71.6,;26.94,-86.97,;25.63,-86.19,;25.63,-84.65,;24.28,-83.88,;22.95,-84.65,;22.95,-86.19,;21.61,-83.88,;21.61,-82.33,;22.95,-81.56,;24.29,-82.34,;25.63,-81.56,;25.61,-80.04,;24.26,-79.27,;22.95,-80.05,;20.28,-84.65,;18.94,-83.88,;18.94,-82.33,;17.61,-84.65,;17.61,-86.19,;18.94,-86.97,;20.33,-86.35,;21.38,-87.48,;20.61,-88.82,;19.11,-88.51,;16.27,-83.88,;14.94,-84.65,;14.94,-86.19,;13.6,-83.88,;13.6,-82.33,;14.94,-81.56,;14.94,-80.03,;16.27,-82.33,;12.27,-84.65,;10.94,-83.88,;10.94,-82.33,;9.6,-84.65,;9.6,-86.19,;10.94,-86.97,;12.27,-86.19,;10.94,-88.51,;8.27,-83.88,;8.26,-82.33,;9.59,-81.56,;6.91,-81.57,;6.92,-80,;8.26,-79.22,;64.2,-79.45,;64.14,-77.9,;65.45,-77.08,;66.81,-77.81,;66.87,-79.35,;65.55,-80.17,;68.22,-80.06,;69.52,-79.25,;69.49,-77.71,;70.79,-76.9,;70.75,-75.36,;72.05,-74.54,;73.41,-75.27,;72,-73,;68.28,-81.61,;69.63,-82.34,;70.94,-81.53,;69.69,-83.88,;68.35,-84.65,;67,-83.88,;67,-82.33,;65.68,-84.65,;65.68,-86.19,;67,-86.97,;67,-88.51,;68.35,-86.19,;64.34,-83.88,;63.01,-84.65,;63.01,-86.19,;65.4,-75.54,;66.71,-74.73,;64.04,-74.82,;63.99,-73.28,;65.3,-72.46,;62.63,-72.55,;61.32,-73.37,;62.58,-71.01,;63.94,-69.88,;63.26,-68.33,;61.59,-68.51,;61.51,-70.06,;60.1,-70.68,;59.92,-72.2,;58.87,-69.75,;57.45,-70.37,;57.27,-71.91,;58.51,-72.81,;55.86,-72.5,;56.22,-69.44,;56.39,-67.92,;54.79,-70.06,;53.55,-69.14,;53.74,-67.62,;52.5,-66.7,;52.67,-65.16,;51.4,-64.26,;50.01,-64.9,;48.78,-64,;47.38,-64.62,;46.15,-63.72,;44.76,-64.34,;43.44,-63.59,;42.31,-64.61,;42.93,-66,;44.45,-65.84,;49.84,-66.41,;51.1,-67.32,;52.14,-69.76,;51.97,-71.28,;50.91,-68.83,;26.94,-83.88,;26.94,-82.33,;28.28,-84.65,;29.62,-83.88,;29.62,-82.33,;30.96,-81.56,;30.96,-80.03,;29.62,-79.26,;32.29,-79.26,;30.96,-84.65,;30.96,-86.19,;32.29,-83.88,;33.63,-84.65,;33.63,-86.19,;34.97,-86.97,;34.97,-88.51,;36.31,-86.19,;34.97,-83.88,;34.97,-82.33,;36.31,-84.65,;37.65,-83.88,;37.65,-82.33,;38.97,-81.56,;38.97,-80.03,;40.3,-79.26,;40.3,-77.72,;38.97,-76.95,;41.64,-76.95,;38.97,-84.65,;38.97,-86.19,;40.3,-83.88,;40.29,-67.62,;40.47,-66.09,;38.89,-68.22,;37.66,-67.32,;37.84,-65.77,;36.6,-64.86,;39.24,-65.16,;36.24,-67.92,;34.99,-67.01,;36.07,-69.46,)| Show InChI InChI=1S/C133H212N38O32S6/c1-67(2)48-85-110(181)145-58-104(177)150-81(31-23-43-143-132(138)139)112(183)165-95-61-205-204-47-41-103(176)151-93(56-102(136)175)122(193)159-89(52-71(9)10)118(189)161-92(55-79-57-142-66-147-79)121(192)160-90(53-77-28-17-16-18-29-77)119(190)168-98-64-208-206-62-96(167-120(191)91(54-78-34-36-80(37-35-78)203-46-40-76-26-19-20-27-76)162-130(201)107(75(15)173)170-129(200)100-33-25-45-171(100)131(202)74(14)149-125(95)196)124(195)148-73(13)109(180)164-99(128(199)169-106(72(11)12)108(137)179)65-209-207-63-97(166-114(185)83(32-24-44-144-133(140)141)153-117(188)88(51-70(7)8)158-115(186)84(155-127(98)198)38-39-101(135)174)126(197)154-82(30-21-22-42-134)113(184)163-94(60-172)123(194)157-86(49-68(3)4)111(182)146-59-105(178)152-87(50-69(5)6)116(187)156-85/h16-18,28-29,34-37,57,66-76,81-100,106-107,172-173H,19-27,30-33,38-56,58-65,134H2,1-15H3,(H2,135,174)(H2,136,175)(H2,137,179)(H,142,147)(H,145,181)(H,146,182)(H,148,195)(H,149,196)(H,150,177)(H,151,176)(H,152,178)(H,153,188)(H,154,197)(H,155,198)(H,156,187)(H,157,194)(H,158,186)(H,159,193)(H,160,192)(H,161,189)(H,162,201)(H,163,184)(H,164,180)(H,165,183)(H,166,185)(H,167,191)(H,168,190)(H,169,199)(H,170,200)(H4,138,139,143)(H4,140,141,144)/t73-,74-,75+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100+,106-,107-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436315 (CHEMBL2398774) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:67.69,46.46,163.169,180.186,14.14,4.3,115.117,88.90,138.141,142.146,143.148,37.164,28.197,wD:75.77,57.58,42.42,172.178,23.196,8.8,107.109,92.94,130.133,149.153,32.32,194.200,(51.8,-17.51,;51.8,-19.05,;53.15,-19.82,;50.48,-19.82,;50.48,-21.37,;49.13,-22.13,;47.81,-21.37,;47.81,-19.82,;46.47,-22.13,;46.47,-23.67,;47.81,-24.45,;45.14,-21.37,;43.79,-22.13,;43.79,-23.67,;42.47,-21.37,;42.47,-19.82,;43.79,-19.05,;43.79,-17.51,;45.14,-16.74,;45.14,-15.2,;41.13,-22.13,;39.8,-21.37,;39.8,-19.82,;38.46,-22.13,;38.46,-23.67,;39.8,-24.45,;36.78,-8.17,;38.17,-7.55,;38.35,-6.02,;39.76,-5.41,;41,-6.33,;40.83,-7.85,;42.41,-5.7,;42.6,-4.18,;43.65,-6.63,;45.07,-6.02,;45.24,-4.49,;46.3,-6.92,;46.12,-8.47,;44.73,-9.08,;23.75,-24.45,;22.44,-23.67,;22.44,-22.13,;21.1,-21.37,;19.76,-22.13,;19.76,-23.67,;18.43,-21.37,;18.43,-19.82,;19.76,-19.05,;21.1,-19.83,;22.45,-19.05,;22.43,-17.52,;21.08,-16.76,;19.76,-17.54,;17.09,-22.13,;15.76,-21.37,;15.76,-19.82,;14.43,-22.13,;14.43,-23.67,;15.76,-24.45,;17.15,-23.83,;18.19,-24.97,;17.42,-26.31,;15.93,-25.99,;13.09,-21.37,;11.76,-22.13,;11.76,-23.67,;10.42,-21.37,;10.42,-19.82,;11.76,-19.05,;11.76,-17.51,;13.09,-19.82,;9.09,-22.13,;7.75,-21.37,;7.75,-19.82,;6.42,-22.13,;6.42,-23.67,;7.75,-24.45,;9.09,-23.67,;7.75,-25.99,;5.08,-21.37,;5.08,-19.82,;6.41,-19.05,;3.73,-19.05,;3.74,-17.49,;5.08,-16.71,;61.01,-16.93,;60.96,-15.38,;62.27,-14.57,;63.63,-15.29,;63.68,-16.83,;62.37,-17.65,;65.03,-17.55,;66.34,-16.73,;66.3,-15.2,;67.61,-14.39,;67.57,-12.84,;68.87,-12.03,;70.23,-12.75,;68.82,-10.49,;65.09,-19.1,;66.45,-19.82,;67.76,-19.01,;66.5,-21.36,;65.17,-22.13,;63.82,-21.37,;63.82,-19.82,;62.5,-22.13,;62.5,-23.67,;63.82,-24.45,;63.82,-25.99,;65.17,-23.67,;61.15,-21.37,;59.83,-22.13,;59.83,-23.67,;58.48,-21.37,;58.48,-19.82,;59.83,-19.05,;59.83,-17.51,;61.15,-19.82,;57.15,-22.13,;55.82,-21.37,;55.82,-19.82,;54.48,-22.13,;53.15,-21.37,;51.8,-22.13,;51.8,-23.67,;62.22,-13.03,;63.52,-12.21,;60.86,-12.3,;60.81,-10.76,;62.11,-9.95,;59.45,-10.04,;58.13,-10.85,;59.4,-8.5,;60.75,-7.36,;60.08,-5.82,;58.41,-5.99,;58.33,-7.54,;56.92,-8.16,;56.74,-9.68,;55.69,-7.23,;54.26,-7.85,;54.09,-9.39,;55.33,-10.29,;52.68,-9.99,;53.03,-6.93,;53.21,-5.4,;51.61,-7.54,;50.37,-6.63,;50.56,-5.11,;49.32,-4.18,;47.91,-4.8,;46.66,-3.89,;46.83,-2.38,;48.22,-1.75,;49.48,-2.64,;48.96,-7.24,;48.79,-8.77,;47.73,-6.32,;23.75,-21.37,;23.75,-19.82,;25.1,-22.13,;26.43,-21.37,;26.43,-19.82,;27.78,-19.05,;27.78,-17.51,;26.43,-16.74,;29.1,-16.74,;27.78,-22.13,;27.78,-23.67,;29.1,-21.37,;30.45,-22.13,;30.45,-23.67,;31.78,-24.45,;31.78,-25.99,;33.13,-23.67,;31.78,-21.37,;31.78,-19.82,;33.13,-22.13,;34.47,-21.37,;34.47,-19.82,;35.79,-19.05,;35.79,-17.51,;37.12,-16.74,;37.12,-15.2,;35.79,-14.43,;38.46,-14.43,;35.79,-22.13,;35.79,-23.67,;37.12,-21.37,;37.11,-5.11,;37.28,-3.58,;35.71,-5.71,;34.48,-4.8,;34.66,-3.26,;33.41,-2.34,;36.06,-2.65,;33.06,-5.4,;31.81,-4.5,;32.88,-6.95,)| Show InChI InChI=1S/C126H200N38O31S6/c1-62(2)43-78-103(174)138-53-97(170)143-74(32-24-39-136-125(131)132)105(176)158-88-56-197-196-42-37-96(169)144-86(51-95(129)168)115(186)152-82(47-66(9)10)111(182)154-85(50-73-52-135-61-140-73)114(185)153-83(48-71-27-18-16-19-28-71)112(183)161-91-59-200-198-57-89(160-113(184)84(49-72-29-20-17-21-30-72)155-123(194)100(70(15)166)163-122(193)93-34-26-41-164(93)124(195)69(14)142-118(88)189)117(188)141-68(13)102(173)157-92(121(192)162-99(67(11)12)101(130)172)60-201-199-58-90(159-107(178)76(33-25-40-137-126(133)134)146-110(181)81(46-65(7)8)151-108(179)77(148-120(91)191)35-36-94(128)167)119(190)147-75(31-22-23-38-127)106(177)156-87(55-165)116(187)150-79(44-63(3)4)104(175)139-54-98(171)145-80(45-64(5)6)109(180)149-78/h16-21,27-30,52,61-70,74-93,99-100,165-166H,22-26,31-51,53-60,127H2,1-15H3,(H2,128,167)(H2,129,168)(H2,130,172)(H,135,140)(H,138,174)(H,139,175)(H,141,188)(H,142,189)(H,143,170)(H,144,169)(H,145,171)(H,146,181)(H,147,190)(H,148,191)(H,149,180)(H,150,187)(H,151,179)(H,152,186)(H,153,185)(H,154,182)(H,155,194)(H,156,177)(H,157,173)(H,158,176)(H,159,178)(H,160,184)(H,161,183)(H,162,192)(H,163,193)(H4,131,132,136)(H4,133,134,137)/t68-,69-,70+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93+,99-,100-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50326057 (([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7...) Show SMILES CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay				Antimicrob Agents Chemother 54: 817-24 (2010) Article DOI: 10.1128/AAC.01293-09 BindingDB Entry DOI: 10.7270/Q2F47PBF
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50109355 (CHEMBL428607) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C193H305N57O62/c1-25-89(10)148(247-161(283)101(22)221-162(284)113(43-34-72-208-190(200)201)228-182(304)133(83-146(272)273)244-180(302)130(80-105-84-212-110-40-30-28-38-108(105)110)241-160(282)99(20)219-165(287)120(54-64-139(258)259)235-179(301)131(81-106-85-213-111-41-31-29-39-109(106)111)245-188(310)151(103(24)252)250-184(306)147(199)102(23)251)185(307)223-100(21)157(279)226-123(57-67-142(264)265)174(296)242-129(79-104-47-49-107(253)50-48-104)177(299)222-94(15)154(276)214-95(16)155(277)224-116(46-37-75-211-193(206)207)176(298)248-149(90(11)26-2)187(309)238-122(56-66-141(262)263)166(288)220-98(19)159(281)240-128(77-87(6)7)183(305)249-150(91(12)27-3)186(308)237-114(44-35-73-209-191(202)203)163(285)217-92(13)152(274)215-96(17)156(278)225-117(51-61-135(195)254)169(291)233-125(59-69-144(268)269)173(295)231-118(52-62-136(196)255)170(292)230-119(53-63-137(197)256)171(293)234-124(58-68-143(266)267)172(294)227-112(42-32-33-71-194)168(290)243-132(82-138(198)257)181(303)236-121(55-65-140(260)261)164(286)218-93(14)153(275)216-97(18)158(280)239-127(76-86(4)5)178(300)229-115(45-36-74-210-192(204)205)167(289)232-126(60-70-145(270)271)175(297)246-134(189(311)312)78-88(8)9/h28-31,38-41,47-50,84-103,112-134,147-151,212-213,251-253H,25-27,32-37,42-46,51-83,194,199H2,1-24H3,(H2,195,254)(H2,196,255)(H2,197,256)(H2,198,257)(H,214,276)(H,215,274)(H,216,275)(H,217,285)(H,218,286)(H,219,287)(H,220,288)(H,221,284)(H,222,299)(H,223,307)(H,224,277)(H,225,278)(H,226,279)(H,227,294)(H,228,304)(H,229,300)(H,230,292)(H,231,295)(H,232,289)(H,233,291)(H,234,293)(H,235,301)(H,236,303)(H,237,308)(H,238,309)(H,239,280)(H,240,281)(H,241,282)(H,242,296)(H,243,290)(H,244,302)(H,245,310)(H,246,297)(H,247,283)(H,248,298)(H,249,305)(H,250,306)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,200,201,208)(H4,202,203,209)(H4,204,205,210)(H4,206,207,211)/t89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,147-,148-,149-,150-,151-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences& Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV-1 HXB2 gp41 N-terminal heptad repeat-mediated fusion between infected HL2/3 cells to target TZM-bl cells after 6 hrs by luciferase ...				J Med Chem 58: 6378-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00109 BindingDB Entry DOI: 10.7270/Q2HH6MVC
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50109358 (CHEMBL411406) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C194H307N57O61S/c1-25-91(10)149(248-162(283)103(22)222-164(285)115(43-34-73-209-191(201)202)229-184(305)135(85-148(272)273)245-182(303)132(82-106-86-213-112-40-30-28-38-109(106)112)242-161(282)101(20)220-167(288)122(54-64-141(258)259)236-181(302)133(83-107-87-214-113-41-31-29-39-110(107)113)246-189(310)152(104(23)252)251-163(284)111(196)71-77-313-24)186(307)224-102(21)158(279)227-125(57-67-144(264)265)176(297)243-131(81-105-47-49-108(253)50-48-105)179(300)223-96(15)155(276)215-97(16)156(277)225-118(46-37-76-212-194(207)208)178(299)249-150(92(11)26-2)188(309)239-124(56-66-143(262)263)168(289)221-100(19)160(281)241-130(79-89(6)7)185(306)250-151(93(12)27-3)187(308)238-116(44-35-74-210-192(203)204)165(286)218-94(13)153(274)216-98(17)157(278)226-119(51-61-137(197)254)171(292)234-127(59-69-146(268)269)175(296)232-120(52-62-138(198)255)172(293)231-121(53-63-139(199)256)173(294)235-126(58-68-145(266)267)174(295)228-114(42-32-33-72-195)170(291)244-134(84-140(200)257)183(304)237-123(55-65-142(260)261)166(287)219-95(14)154(275)217-99(18)159(280)240-129(78-88(4)5)180(301)230-117(45-36-75-211-193(205)206)169(290)233-128(60-70-147(270)271)177(298)247-136(190(311)312)80-90(8)9/h28-31,38-41,47-50,86-104,111,114-136,149-152,213-214,252-253H,25-27,32-37,42-46,51-85,195-196H2,1-24H3,(H2,197,254)(H2,198,255)(H2,199,256)(H2,200,257)(H,215,276)(H,216,274)(H,217,275)(H,218,286)(H,219,287)(H,220,288)(H,221,289)(H,222,285)(H,223,300)(H,224,307)(H,225,277)(H,226,278)(H,227,279)(H,228,295)(H,229,305)(H,230,301)(H,231,293)(H,232,296)(H,233,290)(H,234,292)(H,235,294)(H,236,302)(H,237,304)(H,238,308)(H,239,309)(H,240,280)(H,241,281)(H,242,282)(H,243,297)(H,244,291)(H,245,303)(H,246,310)(H,247,298)(H,248,283)(H,249,299)(H,250,306)(H,251,284)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)(H4,207,208,212)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,111-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,149-,150-,151-,152-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences& Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV-1 HXB2 gp41 N-terminal heptad repeat-mediated fusion between infected HL2/3 cells to target TZM-bl cells after 6 hrs by luciferase ...				J Med Chem 58: 6378-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00109 BindingDB Entry DOI: 10.7270/Q2HH6MVC
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436314 (CHEMBL3037790) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OCCCCO)cc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:79.81,58.58,169.175,186.192,26.26,12.12,4.3,100.102,138.141,142.146,143.148,49.170,40.203,wD:87.89,69.70,54.54,178.184,35.202,20.20,119.121,104.106,130.133,149.153,44.44,200.206,(57.53,-18.58,;57.53,-20.12,;58.85,-20.89,;56.18,-20.89,;56.18,-22.44,;54.85,-23.21,;53.52,-22.44,;53.52,-20.89,;52.18,-23.21,;50.85,-22.44,;49.5,-23.21,;49.5,-24.75,;48.18,-22.44,;48.18,-20.89,;49.5,-20.12,;49.5,-18.58,;50.85,-20.89,;46.83,-23.21,;45.51,-22.44,;45.51,-20.89,;44.18,-23.21,;44.18,-24.75,;45.51,-25.53,;42.84,-22.44,;41.5,-23.21,;41.5,-24.75,;40.17,-22.44,;40.17,-20.89,;41.5,-20.12,;41.5,-18.58,;42.84,-17.82,;42.84,-16.28,;38.83,-23.21,;37.5,-22.44,;37.5,-20.89,;36.16,-23.21,;36.16,-24.75,;37.5,-25.53,;34.48,-9.24,;35.87,-8.63,;36.05,-7.1,;37.46,-6.49,;38.7,-7.4,;38.53,-8.93,;40.11,-6.78,;40.3,-5.26,;41.36,-7.71,;42.77,-7.1,;42.94,-5.57,;44,-8,;43.82,-9.54,;42.43,-10.16,;21.46,-25.53,;20.15,-24.75,;20.15,-23.21,;18.8,-22.44,;17.47,-23.21,;17.47,-24.75,;16.13,-22.44,;16.13,-20.89,;17.47,-20.12,;18.81,-20.9,;20.15,-20.12,;20.13,-18.59,;18.78,-17.83,;17.47,-18.61,;14.8,-23.21,;13.46,-22.44,;13.46,-20.89,;12.13,-23.21,;12.13,-24.75,;13.46,-25.53,;14.85,-24.9,;15.9,-26.04,;15.13,-27.38,;13.64,-27.07,;10.8,-22.44,;9.46,-23.21,;9.46,-24.75,;8.13,-22.44,;8.13,-20.89,;9.46,-20.12,;9.46,-18.58,;10.8,-20.89,;6.79,-23.21,;5.46,-22.44,;5.46,-20.89,;4.12,-23.21,;4.12,-24.75,;5.46,-25.53,;6.79,-24.75,;5.46,-27.07,;2.79,-22.44,;2.79,-20.89,;4.12,-20.12,;1.43,-20.12,;1.44,-18.56,;2.78,-17.78,;58.71,-18.01,;58.66,-16.46,;59.97,-15.64,;61.33,-16.37,;61.38,-17.91,;60.07,-18.72,;62.73,-18.62,;64.04,-17.81,;64,-16.27,;65.31,-15.46,;65.26,-13.92,;66.57,-13.1,;67.93,-13.83,;66.52,-11.56,;62.79,-20.17,;64.15,-20.9,;65.46,-20.08,;64.2,-22.44,;62.87,-23.21,;61.52,-22.44,;61.52,-20.89,;60.2,-23.21,;60.2,-24.75,;61.52,-25.53,;61.52,-27.07,;62.87,-24.75,;58.85,-22.44,;57.53,-23.21,;57.53,-24.75,;59.92,-14.1,;61.22,-13.29,;58.56,-13.38,;58.51,-11.84,;59.81,-11.02,;57.15,-11.11,;55.83,-11.93,;57.1,-9.57,;58.45,-8.44,;57.78,-6.89,;56.11,-7.07,;56.03,-8.62,;54.62,-9.24,;54.44,-10.76,;53.39,-8.31,;51.96,-8.92,;51.79,-10.47,;53.03,-11.37,;50.38,-11.06,;50.73,-8,;50.91,-6.48,;49.31,-8.62,;48.07,-7.7,;48.26,-6.18,;47.02,-5.26,;47.18,-3.72,;45.92,-2.82,;44.53,-3.46,;43.29,-2.56,;41.9,-3.18,;40.67,-2.28,;39.28,-2.9,;38.04,-2.01,;36.65,-2.63,;44.36,-4.97,;45.61,-5.88,;46.66,-8.32,;46.49,-9.84,;45.43,-7.39,;21.46,-22.44,;21.46,-20.89,;22.8,-23.21,;24.14,-22.44,;24.14,-20.89,;25.48,-20.12,;25.48,-18.58,;24.14,-17.82,;26.81,-17.82,;25.48,-23.21,;25.48,-24.75,;26.81,-22.44,;28.15,-23.21,;28.15,-24.75,;29.49,-25.53,;29.49,-27.07,;30.83,-24.75,;29.49,-22.44,;29.49,-20.89,;30.83,-23.21,;32.17,-22.44,;32.17,-20.89,;33.49,-20.12,;33.49,-18.58,;34.82,-17.82,;34.82,-16.28,;33.49,-15.51,;36.16,-15.51,;33.49,-23.21,;33.49,-24.75,;34.82,-22.44,;34.81,-6.18,;34.99,-4.65,;33.41,-6.78,;32.18,-5.88,;32.36,-4.33,;31.12,-3.42,;33.76,-3.72,;30.76,-6.48,;29.51,-5.57,;30.59,-8.02,)| Show InChI InChI=1S/C130H208N38O33S6/c1-65(2)46-82-107(179)142-56-101(175)147-78(29-23-40-140-129(135)136)109(181)162-92-59-203-202-45-38-100(174)148-90(54-99(133)173)119(191)156-86(50-69(9)10)115(187)158-89(53-76-55-139-64-144-76)118(190)157-87(51-74-26-17-16-18-27-74)116(188)165-95-62-206-204-60-93(164-117(189)88(52-75-32-34-77(35-33-75)201-44-22-21-43-169)159-127(199)104(73(15)171)167-126(198)97-31-25-42-168(97)128(200)72(14)146-122(92)194)121(193)145-71(13)106(178)161-96(125(197)166-103(70(11)12)105(134)177)63-207-205-61-94(163-111(183)80(30-24-41-141-130(137)138)150-114(186)85(49-68(7)8)155-112(184)81(152-124(95)196)36-37-98(132)172)123(195)151-79(28-19-20-39-131)110(182)160-91(58-170)120(192)154-83(47-66(3)4)108(180)143-57-102(176)149-84(48-67(5)6)113(185)153-82/h16-18,26-27,32-35,55,64-73,78-97,103-104,169-171H,19-25,28-31,36-54,56-63,131H2,1-15H3,(H2,132,172)(H2,133,173)(H2,134,177)(H,139,144)(H,142,179)(H,143,180)(H,145,193)(H,146,194)(H,147,175)(H,148,174)(H,149,176)(H,150,186)(H,151,195)(H,152,196)(H,153,185)(H,154,192)(H,155,184)(H,156,191)(H,157,190)(H,158,187)(H,159,199)(H,160,182)(H,161,178)(H,162,181)(H,163,183)(H,164,189)(H,165,188)(H,166,197)(H,167,198)(H4,135,136,140)(H4,137,138,141)/t71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,103-,104-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436313 (CHEMBL3037788) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OCCC4CCCCC4)cc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:79.81,58.58,172.179,189.196,26.26,12.12,4.3,100.102,138.141,142.146,143.148,49.174,40.207,wD:87.89,69.70,54.54,181.188,35.206,20.20,119.121,104.106,130.133,149.153,44.44,203.210,(63.68,-54.04,;63.68,-55.58,;65,-56.35,;62.33,-56.35,;62.33,-57.9,;61,-58.67,;59.66,-57.9,;59.66,-56.35,;58.33,-58.67,;56.99,-57.9,;55.65,-58.67,;55.65,-60.2,;54.33,-57.9,;54.33,-56.35,;55.65,-55.58,;55.65,-54.04,;56.99,-56.35,;52.98,-58.67,;51.66,-57.9,;51.66,-56.35,;50.32,-58.67,;50.32,-60.2,;51.66,-60.99,;48.99,-57.9,;47.64,-58.67,;47.64,-60.2,;46.32,-57.9,;46.32,-56.35,;47.64,-55.58,;47.64,-54.04,;48.99,-53.27,;48.99,-51.73,;44.97,-58.67,;43.65,-57.9,;43.65,-56.35,;42.3,-58.67,;42.3,-60.2,;43.65,-60.99,;40.62,-44.7,;42.01,-44.09,;42.2,-42.55,;43.61,-41.94,;44.85,-42.86,;44.68,-44.38,;46.26,-42.24,;46.45,-40.71,;47.5,-43.16,;48.92,-42.55,;49.09,-41.02,;50.15,-43.46,;49.97,-45,;48.57,-45.61,;27.6,-60.99,;26.29,-60.2,;26.29,-58.67,;24.94,-57.9,;23.61,-58.67,;23.61,-60.2,;22.27,-57.9,;22.27,-56.35,;23.61,-55.58,;24.95,-56.36,;26.29,-55.58,;26.27,-54.05,;24.93,-53.29,;23.61,-54.07,;20.94,-58.67,;19.61,-57.9,;19.61,-56.35,;18.27,-58.67,;18.27,-60.2,;19.61,-60.99,;20.99,-60.36,;22.04,-61.5,;21.27,-62.84,;19.78,-62.52,;16.94,-57.9,;15.6,-58.67,;15.6,-60.2,;14.27,-57.9,;14.27,-56.35,;15.6,-55.58,;15.6,-54.04,;16.94,-56.35,;12.93,-58.67,;11.6,-57.9,;11.6,-56.35,;10.26,-58.67,;10.26,-60.2,;11.6,-60.99,;12.93,-60.2,;11.6,-62.52,;8.93,-57.9,;8.93,-56.35,;10.26,-55.58,;7.57,-55.58,;7.58,-54.02,;8.92,-53.24,;64.86,-53.46,;64.81,-51.92,;66.12,-51.1,;67.48,-51.82,;67.53,-53.36,;66.22,-54.18,;68.88,-54.08,;70.19,-53.27,;70.15,-51.73,;71.46,-50.92,;71.41,-49.37,;72.72,-48.56,;74.08,-49.28,;72.67,-47.02,;68.94,-55.63,;70.3,-56.35,;71.61,-55.54,;70.35,-57.89,;69.02,-58.67,;67.67,-57.9,;67.67,-56.35,;66.35,-58.67,;66.35,-60.2,;67.67,-60.99,;67.67,-62.52,;69.02,-60.2,;65,-57.9,;63.68,-58.67,;63.68,-60.2,;66.07,-49.56,;67.37,-48.74,;64.71,-48.83,;64.66,-47.29,;65.96,-46.48,;63.3,-46.57,;61.98,-47.39,;63.25,-45.03,;64.6,-43.89,;63.93,-42.35,;62.26,-42.52,;62.18,-44.07,;60.77,-44.69,;60.59,-46.21,;59.54,-43.76,;58.11,-44.38,;57.93,-45.92,;59.18,-46.82,;56.52,-46.52,;56.88,-43.46,;57.06,-41.93,;55.46,-44.08,;54.22,-43.16,;54.41,-41.64,;53.16,-40.71,;53.33,-39.17,;52.07,-38.28,;50.67,-38.91,;49.44,-38.01,;48.05,-38.63,;46.82,-37.74,;46.98,-36.22,;48.36,-35.61,;48.53,-34.1,;47.3,-33.2,;45.9,-33.81,;45.74,-35.33,;50.51,-40.42,;51.76,-41.33,;52.81,-43.77,;52.63,-45.3,;51.58,-42.85,;27.6,-57.9,;27.6,-56.35,;28.95,-58.67,;30.28,-57.9,;30.28,-56.35,;31.63,-55.58,;31.63,-54.04,;30.28,-53.27,;32.95,-53.27,;31.63,-58.67,;31.63,-60.2,;32.95,-57.9,;34.3,-58.67,;34.3,-60.2,;35.63,-60.99,;35.63,-62.52,;36.98,-60.2,;35.63,-57.9,;35.63,-56.35,;36.98,-58.67,;38.31,-57.9,;38.31,-56.35,;39.63,-55.58,;39.63,-54.04,;40.97,-53.27,;40.97,-51.73,;39.63,-50.97,;42.3,-50.97,;39.63,-58.67,;39.63,-60.2,;40.97,-57.9,;40.96,-41.64,;41.13,-40.11,;39.56,-42.24,;38.33,-41.33,;38.51,-39.79,;37.26,-38.87,;39.91,-39.18,;36.91,-41.93,;35.66,-41.03,;36.73,-43.48,)| Show InChI InChI=1S/C134H214N38O32S6/c1-68(2)49-86-111(182)146-59-105(178)151-82(32-24-44-144-133(139)140)113(184)166-96-62-206-205-48-42-104(177)152-94(57-103(137)176)123(194)160-90(53-72(9)10)119(190)162-93(56-80-58-143-67-148-80)122(193)161-91(54-78-29-20-17-21-30-78)120(191)169-99-65-209-207-63-97(168-121(192)92(55-79-35-37-81(38-36-79)204-47-41-77-27-18-16-19-28-77)163-131(202)108(76(15)174)171-130(201)101-34-26-46-172(101)132(203)75(14)150-126(96)197)125(196)149-74(13)110(181)165-100(129(200)170-107(73(11)12)109(138)180)66-210-208-64-98(167-115(186)84(33-25-45-145-134(141)142)154-118(189)89(52-71(7)8)159-116(187)85(156-128(99)199)39-40-102(136)175)127(198)155-83(31-22-23-43-135)114(185)164-95(61-173)124(195)158-87(50-69(3)4)112(183)147-60-106(179)153-88(51-70(5)6)117(188)157-86/h17,20-21,29-30,35-38,58,67-77,82-101,107-108,173-174H,16,18-19,22-28,31-34,39-57,59-66,135H2,1-15H3,(H2,136,175)(H2,137,176)(H2,138,180)(H,143,148)(H,146,182)(H,147,183)(H,149,196)(H,150,197)(H,151,178)(H,152,177)(H,153,179)(H,154,189)(H,155,198)(H,156,199)(H,157,188)(H,158,195)(H,159,187)(H,160,194)(H,161,193)(H,162,190)(H,163,202)(H,164,185)(H,165,181)(H,166,184)(H,167,186)(H,168,192)(H,169,191)(H,170,200)(H,171,201)(H4,139,140,144)(H4,141,142,145)/t74-,75-,76+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101+,107-,108-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50436312 (CHEMBL3037797) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:79.81,58.58,169.176,186.193,26.26,12.12,4.3,100.102,138.141,142.146,143.148,49.171,40.204,wD:87.89,69.70,54.54,178.185,35.203,20.20,119.121,104.106,130.133,149.153,44.44,200.207,(18.39,-90.41,;18.39,-91.95,;19.72,-92.72,;17.05,-92.72,;17.05,-94.27,;15.71,-95.04,;14.38,-94.27,;14.38,-92.72,;13.04,-95.04,;11.71,-94.27,;10.36,-95.04,;10.36,-96.58,;9.04,-94.27,;9.04,-92.72,;10.36,-91.95,;10.36,-90.41,;11.71,-92.72,;7.69,-95.04,;6.37,-94.27,;6.37,-92.72,;5.04,-95.04,;5.04,-96.58,;6.37,-97.36,;3.7,-94.27,;2.36,-95.04,;2.36,-96.58,;1.03,-94.27,;1.03,-92.72,;2.36,-91.95,;2.36,-90.41,;3.7,-89.64,;3.7,-88.11,;-.33,-95.04,;-1.65,-94.27,;-1.65,-92.72,;-2.98,-95.04,;-2.98,-96.58,;-1.65,-97.36,;-4.68,-81.07,;-3.28,-80.46,;-3.09,-78.92,;-1.69,-78.31,;-.44,-79.23,;-.62,-80.76,;.97,-78.61,;1.16,-77.08,;2.22,-79.53,;3.63,-78.92,;3.8,-77.39,;4.86,-79.83,;4.69,-81.37,;3.29,-81.99,;-17.69,-97.36,;-19,-96.58,;-19,-95.04,;-20.35,-94.27,;-21.69,-95.04,;-21.69,-96.58,;-23.03,-94.27,;-23.03,-92.72,;-21.69,-91.95,;-20.34,-92.73,;-19,-91.95,;-19.01,-90.42,;-20.36,-89.66,;-21.69,-90.44,;-24.35,-95.04,;-25.68,-94.27,;-25.68,-92.72,;-27.02,-95.04,;-27.02,-96.58,;-25.68,-97.36,;-24.3,-96.73,;-23.27,-97.87,;-24.04,-99.21,;-25.53,-98.89,;-28.36,-94.27,;-29.7,-95.04,;-29.7,-96.58,;-31.02,-94.27,;-31.02,-92.72,;-29.7,-91.95,;-29.7,-90.41,;-28.36,-92.72,;-32.36,-95.04,;-33.69,-94.27,;-33.69,-92.72,;-35.03,-95.04,;-35.03,-96.58,;-33.69,-97.36,;-32.36,-96.58,;-33.69,-98.89,;-36.37,-94.27,;-36.37,-92.72,;-35.03,-91.95,;-37.71,-91.95,;-37.72,-90.39,;-36.37,-89.61,;19.58,-89.83,;19.52,-88.29,;20.84,-87.47,;22.19,-88.19,;22.25,-89.73,;20.93,-90.55,;23.6,-90.45,;24.9,-89.64,;24.87,-88.1,;26.17,-87.29,;26.13,-85.74,;27.43,-84.93,;28.79,-85.66,;27.38,-83.39,;23.66,-92,;25.02,-92.72,;26.32,-91.91,;25.07,-94.26,;23.73,-95.04,;22.39,-94.27,;22.39,-92.72,;21.06,-95.04,;21.06,-96.58,;22.39,-97.36,;22.39,-98.89,;23.73,-96.58,;19.72,-94.27,;18.39,-95.04,;18.39,-96.58,;20.78,-85.93,;22.09,-85.12,;19.42,-85.2,;19.37,-83.66,;20.68,-82.85,;18.01,-82.94,;16.7,-83.76,;17.96,-81.4,;19.32,-80.26,;18.64,-78.72,;16.97,-78.9,;16.89,-80.45,;15.49,-81.07,;15.31,-82.58,;14.25,-80.13,;12.83,-80.75,;12.65,-82.29,;13.89,-83.19,;11.24,-82.89,;11.6,-79.83,;11.77,-78.3,;10.17,-80.45,;8.94,-79.53,;9.13,-78.01,;7.88,-77.08,;8.05,-75.54,;6.79,-74.65,;5.39,-75.28,;5.22,-76.8,;6.48,-77.7,;4.15,-74.39,;4.32,-72.87,;3.09,-71.98,;1.69,-72.6,;1.54,-74.12,;2.77,-75.01,;7.52,-80.14,;7.35,-81.67,;6.29,-79.22,;-17.69,-94.27,;-17.69,-92.72,;-16.36,-95.04,;-15.02,-94.27,;-15.02,-92.72,;-13.67,-91.95,;-13.67,-90.41,;-15.02,-89.64,;-12.34,-89.64,;-13.67,-95.04,;-13.67,-96.58,;-12.34,-94.27,;-10.99,-95.04,;-10.99,-96.58,;-9.65,-97.36,;-9.65,-98.89,;-8.33,-96.58,;-9.65,-94.27,;-9.65,-92.72,;-8.33,-95.04,;-6.99,-94.27,;-6.99,-92.72,;-5.66,-91.95,;-5.66,-90.41,;-4.32,-89.64,;-4.32,-88.11,;-5.66,-87.34,;-2.98,-87.34,;-5.66,-95.04,;-5.66,-96.58,;-4.32,-94.27,;-4.33,-78.01,;-4.18,-76.48,;-5.75,-78.61,;-6.98,-77.7,;-6.8,-76.16,;-8.04,-75.24,;-5.39,-75.55,;-8.4,-78.3,;-9.63,-77.4,;-8.58,-79.85,)| Show InChI InChI=1S/C132H204N38O31S6/c1-66(2)47-84-109(180)144-57-103(176)149-80(32-24-43-142-131(137)138)111(182)164-94-60-203-202-46-41-102(175)150-92(55-101(135)174)121(192)158-88(51-70(9)10)117(188)160-91(54-79-56-141-65-146-79)120(191)159-89(52-75-27-18-16-19-28-75)118(189)167-97-63-206-204-61-95(166-119(190)90(53-76-35-37-78(38-36-76)77-29-20-17-21-30-77)161-129(200)106(74(15)172)169-128(199)99-34-26-45-170(99)130(201)73(14)148-124(94)195)123(194)147-72(13)108(179)163-98(127(198)168-105(71(11)12)107(136)178)64-207-205-62-96(165-113(184)82(33-25-44-143-132(139)140)152-116(187)87(50-69(7)8)157-114(185)83(154-126(97)197)39-40-100(134)173)125(196)153-81(31-22-23-42-133)112(183)162-93(59-171)122(193)156-85(48-67(3)4)110(181)145-58-104(177)151-86(49-68(5)6)115(186)155-84/h16-21,27-30,35-38,56,65-74,80-99,105-106,171-172H,22-26,31-34,39-55,57-64,133H2,1-15H3,(H2,134,173)(H2,135,174)(H2,136,178)(H,141,146)(H,144,180)(H,145,181)(H,147,194)(H,148,195)(H,149,176)(H,150,175)(H,151,177)(H,152,187)(H,153,196)(H,154,197)(H,155,186)(H,156,193)(H,157,185)(H,158,192)(H,159,191)(H,160,188)(H,161,200)(H,162,183)(H,163,179)(H,164,182)(H,165,184)(H,166,190)(H,167,189)(H,168,198)(H,169,199)(H4,137,138,142)(H4,139,140,143)/t72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,105-,106-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
iBiTecS, CEA Curated by ChEMBL					Assay Description Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA				J Med Chem 56: 5033-47 (2013) Article DOI: 10.1021/jm4002988 BindingDB Entry DOI: 10.7270/Q2154JFM
					More data for this Ligand-Target Pair

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