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Target
Integrase
Ligand
BDBM50409858
Substrate
n/a
Meas. Tech.
ChEMBL_88771 (CHEMBL701803)
IC50
7943.28±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:
BDBM50409858
Synonyms:
CHEMBL129173
Type:
Small organic molecule
Emp. Form.:
C21H15BrClN3O2S2
Mol. Mass.:
520.85
SMILES:
Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc1nc2ccccc2nc1-c1ccc(Br)cc1
Structure:
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