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Target
Integrase
Ligand
BDBM50409873
Substrate
n/a
Meas. Tech.
ChEMBL_88771 (CHEMBL701803)
IC50
4265.8±n/a nM
Citation
 Kuo, CL; Assefa, H; Kamath, S; Brzozowski, Z; Slawinski, J; Saczewski, F; Buolamwini, JK; Neamati, N Application of CoMFA and CoMSIA 3D-QSAR and docking studies in optimization of mercaptobenzenesulfonamides as HIV-1 integrase inhibitors. J Med Chem 47:385-99 (2004) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50409873
Synonyms:
CHEMBL129147
Type:
Small organic molecule
Emp. Form.:
C18H17ClN6O2S2
Mol. Mass.:
448.95
SMILES:
Cc1cc2nc3nc(N)nc(NS(=O)(=O)c4cc(C)c(Cl)cc4S)n3c2cc1C
Structure:
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