BDBM13935 (4S)-4-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentyl]amino}-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl}ethyl]carbamoyl}butanoic acid::H-Arg-Val-Leu-r-Phe-Glu-Ala-Nle-NH2::N-1270::Peptide Inhibitor CA/p2::R-V-L-r-F-E-A-Nle

SMILES: CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(N)=O

InChI Key: InChIKey=SGWAZUZKMXHYMB-UQGDEETHSA-N

Data: 4 KI

PDB links: 5 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 13935   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HIV-1 Protease Mutant (L24I) (Human immunodeficiency virus type 1)	BDBM13935 ((4S)-4-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-amino-5-ca...) Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(N)=O |r| Show InChI InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/t25-,27-,28-,29-,30-,31-,33-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.5	-11.4	n/a	n/a	n/a	n/a	n/a	5.0	22
Georgia State University					Assay Description The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...				J Mol Biol 354: 789-800 (2005) Article DOI: 10.1016/j.jmb.2005.09.095 BindingDB Entry DOI: 10.7270/Q2KP80CR
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM13935 ((4S)-4-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-amino-5-ca...) Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(N)=O |r| Show InChI InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/t25-,27-,28-,29-,30-,31-,33-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	75	-9.62	n/a	n/a	n/a	n/a	n/a	5.0	22
Georgia State University					Assay Description The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...				J Mol Biol 354: 789-800 (2005) Article DOI: 10.1016/j.jmb.2005.09.095 BindingDB Entry DOI: 10.7270/Q2KP80CR
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant (I50V) (Human immunodeficiency virus type 1)	BDBM13935 ((4S)-4-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-amino-5-ca...) Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(N)=O |r| Show InChI InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/t25-,27-,28-,29-,30-,31-,33-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	230	-8.96	n/a	n/a	n/a	n/a	n/a	5.0	22
Georgia State University					Assay Description The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...				J Mol Biol 354: 789-800 (2005) Article DOI: 10.1016/j.jmb.2005.09.095 BindingDB Entry DOI: 10.7270/Q2KP80CR
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Protease Mutant (G73S) (Human immunodeficiency virus type 1)	BDBM13935 ((4S)-4-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-amino-5-ca...) Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(N)=O |r| Show InChI InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/t25-,27-,28-,29-,30-,31-,33-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	330	-8.75	n/a	n/a	n/a	n/a	n/a	5.0	22
Georgia State University					Assay Description The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...				J Mol Biol 354: 789-800 (2005) Article DOI: 10.1016/j.jmb.2005.09.095 BindingDB Entry DOI: 10.7270/Q2KP80CR
					More data for this Ligand-Target Pair				3D Structure (crystal)