BDBM50193483 CID44415024::[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl {[(3R)-3-({2-[(2-{[3-({[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxyoxan-2-yl]methyl}carbamoyl)propyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropyl phosphonato]oxy}phosphonate::truncated aminoglycoside-coenzyme A bisubstrate analogue 1c

SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCCCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=CLIIBZGIUKGGGL-MOXUDUOHSA-J

Data: 1 KI

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 1 hit for monomerid = 50193483   

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
Aminoglycoside acetyltransferase (Enterococcus durans)	BDBM50193483 (CID44415024 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCCCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C37H66N11O23P3S/c1-37(2,13-66-74(63,64)71-73(61,62)65-12-19-30(70-72(58,59)60)28(55)35(67-19)48-15-47-23-32(41)45-14-46-33(23)48)31(56)34(57)43-6-5-21(50)42-7-9-75-8-3-4-20(49)44-11-18-25(52)26(53)22(40)36(68-18)69-29-17(39)10-16(38)24(51)27(29)54/h14-19,22,24-31,35-36,51-56H,3-13,38-40H2,1-2H3,(H,42,50)(H,43,57)(H,44,49)(H,61,62)(H,63,64)(H2,41,45,46)(H2,58,59,60)/p-4/t16-,17+,18-,19-,22-,24+,25-,26-,27-,28-,29-,30-,31+,35-,36-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecium AAC(6')Ii				J Med Chem 49: 5273-81 (2006) Article DOI: 10.1021/jm060732n BindingDB Entry DOI: 10.7270/Q2183789
					More data for this Ligand-Target Pair