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Target
Integrase
Ligand
BDBM50409875
Substrate
n/a
Meas. Tech.
ChEMBL_88770 (CHEMBL701802)
IC50
15488.17±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:
BDBM50409875
Synonyms:
CHEMBL128293
Type:
Small organic molecule
Emp. Form.:
C18H20ClN5O5S2
Mol. Mass.:
485.965
SMILES:
COc1cc(Nc2nnc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)[nH]2)cc(OC)c1OC
Structure:
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