Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50035468
Substrate
n/a
Meas. Tech.
ChEMBL_88770 (CHEMBL701802)
IC50
5011.87±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:
BDBM50035468
Synonyms:
4-(4-Hydroxy-9,10-dioxo-9,10-dihydro-anthracen-1-ylamino)-N,N-bis-(2-hydroxy-ethyl)-benzenesulfonamide | CHEMBL128547 | NSC-115290
Type:
Small organic molecule
Emp. Form.:
C24H22N2O7S
Mol. Mass.:
482.506
SMILES:
OCCN(CCO)S(=O)(=O)c1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1
Structure:
Search PDB for entries with ligand similarity: