BDBM18122 (4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]-5-oxopentanoic acid::5-O-[N-(L-Glutamyl)-sulfamoyl]adenosine 5::Glu-AMS

SMILES: N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=YBRKRYFZKHICLS-WERHYGNASA-N

Data: 2 KI

PDB links: 7 PDB IDs match this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to 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 2 hits for monomerid = 18122   

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
tRNA synthetase (GluRS) (Escherichia coli)	BDBM18122 ((4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...) Show SMILES N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.80	-12.1	n/a	n/a	n/a	n/a	n/a	7.2	37
CREFSIP					Assay Description The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...				J Enzyme Inhib Med Chem 20: 61-7 (2005) Article DOI: 10.1080/14756360400002007 BindingDB Entry DOI: 10.7270/Q2X0659C
					More data for this Ligand-Target Pair
tRNA synthetase (GluRS) (Mus musculus (mouse))	BDBM18122 ((4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...) Show SMILES N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	70	-9.92	n/a	n/a	n/a	n/a	n/a	8.0	30
CREFSIP					Assay Description The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...				J Enzyme Inhib Med Chem 20: 61-7 (2005) Article DOI: 10.1080/14756360400002007 BindingDB Entry DOI: 10.7270/Q2X0659C
					More data for this Ligand-Target Pair