Marvin 2D Structure

Wt: 409.4 BDBM50335524	Wt: 204.2 BDBM50386412Purchase	Wt: 276.2 BDBM50386413	Wt: 347.3 BDBM50386414	Wt: 476.4 BDBM50386415
Wt: 352.3 BDBM50577836	Wt: 368.4 BDBM50577841	Wt: 386.7 BDBM50577842	Wt: 402.4 BDBM50577843	Wt: 366.3 BDBM50577837
Wt: 420.3 BDBM50577838	Wt: 382.3 BDBM50577839	Wt: 402.4 BDBM50577840

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 27 hits in this display   

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
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577843 (CHEMBL4853460) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc2ccccc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using 4-Mu-GlcNAc as substrate assessed as inhibition constant by measuring liberation of n...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577843 (CHEMBL4853460) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc2ccccc2c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577842 (CHEMBL4866781) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using 4-Mu-GlcNAc as substrate assessed as inhibition constant by measuring liberation of n...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577838 (CHEMBL4874886) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577836 (CHEMBL4861823) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HexA/HexB (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577840 (CHEMBL4864246) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577837 (CHEMBL4875285) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(C)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577838 (CHEMBL4874886) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577842 (CHEMBL4866781) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(Cl)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577836 (CHEMBL4861823) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Bos taurus)	BDBM50577836 (CHEMBL4861823) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccccc1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577839 (CHEMBL4851727) Show SMILES COc1ccc(NC(=O)N\N=C2/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Pseudomonas aeruginosa)	BDBM50386412 (CHEMBL2047302) Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa PAO1 NagZ using PNP-GlcNAc as substrate assessed as release of 4-nitrophenolate ion after 4 mins by ...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-hexosaminidase (Bos taurus)	BDBM50577837 (CHEMBL4875285) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(C)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	332	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577839 (CHEMBL4851727) Show SMILES COc1ccc(NC(=O)N\N=C2/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577840 (CHEMBL4864246) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1cccc2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	506	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577840 (CHEMBL4864246) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1cccc2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	509	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using 4-Mu-GlcNAc as substrate assessed as inhibition constant by measuring liberation of n...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Pseudomonas aeruginosa)	BDBM50335524 (CHEMBL254583 | O-(2-Deoxy-2-N-2-ethylbutyryl-D-glu...) Show SMILES CCC(CC)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=NOC(=O)Nc1ccccc1 |w:18.19| Show InChI InChI=1S/C19H27N3O7/c1-3-11(4-2)17(26)21-14-16(25)15(24)13(10-23)28-18(14)22-29-19(27)20-12-8-6-5-7-9-12/h5-9,11,13-16,23-25H,3-4,10H2,1-2H3,(H,20,27)(H,21,26)/t13-,14-,15-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PAO1 nagZ gene after 1.5 hrs by fluoresence spectrophotometry				Antimicrob Agents Chemother 53: 2274-82 (2009) Article DOI: 10.1128/AAC.01617-08 BindingDB Entry DOI: 10.7270/Q27W6CGV
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577841 (CHEMBL4845911) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=S)Nc1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577841 (CHEMBL4845911) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=S)Nc1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Pseudomonas aeruginosa)	BDBM50386415 (CHEMBL2047305) Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H32N4O10/c1-8(17(29)23-11(19(31)32)4-5-14(26)27)21-18(30)9(2)33-16-12(22-10(3)25)6-20-13(7-24)15(16)28/h8-9,11-13,15-16,20,24,28H,4-7H2,1-3H3,(H,21,30)(H,22,25)(H,23,29)(H,26,27)(H,31,32)/t8-,9+,11+,12-,13+,15+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa PAO1 NagZ using PNP-GlcNAc as substrate assessed as release of 4-nitrophenolate ion after 4 mins by ...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Pseudomonas aeruginosa)	BDBM50386414 (CHEMBL2047304) Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C14H25N3O7/c1-6(14(22)23)16-13(21)7(2)24-12-9(17-8(3)19)4-15-10(5-18)11(12)20/h6-7,9-12,15,18,20H,4-5H2,1-3H3,(H,16,21)(H,17,19)(H,22,23)/t6-,7+,9-,10+,11+,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa PAO1 NagZ using PNP-GlcNAc as substrate assessed as release of 4-nitrophenolate ion after 4 mins by ...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Pseudomonas aeruginosa)	BDBM50386413 (CHEMBL2047303) Show SMILES C[C@@H](O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C11H20N2O6/c1-5(11(17)18)19-10-7(13-6(2)15)3-12-8(4-14)9(10)16/h5,7-10,12,14,16H,3-4H2,1-2H3,(H,13,15)(H,17,18)/t5-,7+,8-,9-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa PAO1 NagZ using PNP-GlcNAc as substrate assessed as release of 4-nitrophenolate ion after 4 mins by ...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair
Membrane-bound lytic murein transglycosylase B (Escherichia coli (strain K12))	BDBM50386415 (CHEMBL2047305) Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H32N4O10/c1-8(17(29)23-11(19(31)32)4-5-14(26)27)21-18(30)9(2)33-16-12(22-10(3)25)6-20-13(7-24)15(16)28/h8-9,11-13,15-16,20,24,28H,4-7H2,1-3H3,(H,21,30)(H,22,25)(H,23,29)(H,26,27)(H,31,32)/t8-,9+,11+,12-,13+,15+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.01E+6	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair
Membrane-bound lytic murein transglycosylase B (Escherichia coli (strain K12))	BDBM50386414 (CHEMBL2047304) Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C14H25N3O7/c1-6(14(22)23)16-13(21)7(2)24-12-9(17-8(3)19)4-15-10(5-18)11(12)20/h6-7,9-12,15,18,20H,4-5H2,1-3H3,(H,16,21)(H,17,19)(H,22,23)/t6-,7+,9-,10+,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.89E+5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair
Membrane-bound lytic murein transglycosylase B (Escherichia coli (strain K12))	BDBM50386413 (CHEMBL2047303) Show SMILES C[C@@H](O[C@@H]1[C@H](CN[C@H](CO)[C@H]1O)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C11H20N2O6/c1-5(11(17)18)19-10-7(13-6(2)15)3-12-8(4-14)9(10)16/h5,7-10,12,14,16H,3-4H2,1-2H3,(H,13,15)(H,17,18)/t5-,7+,8-,9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair
Membrane-bound lytic murein transglycosylase B (Escherichia coli (strain K12))	BDBM50386412 (CHEMBL2047302) Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyro...				ACS Med Chem Lett 3: 238-242 (2012) Article DOI: 10.1021/ml2002746 BindingDB Entry DOI: 10.7270/Q2KD1ZZJ
					More data for this Ligand-Target Pair