Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50409842
Substrate
n/a
Meas. Tech.
ChEMBL_88770 (CHEMBL701802)
IC50
3630.78±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:
BDBM50409842
Synonyms:
CHEMBL340697
Type:
Small organic molecule
Emp. Form.:
C15H12ClN5O2S3
Mol. Mass.:
425.936
SMILES:
Cc1csc2ncn3c(NS(=O)(=O)c4cc(C)c(Cl)cc4S)nnc3c12
Structure:
Search PDB for entries with ligand similarity: