Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50162334
Substrate
n/a
Meas. Tech.
ChEMBL_306062 (CHEMBL832198)
IC50
15000±n/a nM
Citation
 Deng, J; Lee, KW; Sanchez, T; Cui, M; Neamati, N; Briggs, JM Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors. J Med Chem 48:1496-505 (2005) [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:
BDBM50162334
Synonyms:
5-[3-carboxy-4-(3-nitrophenylcarboxamido)benzyl]-2-(3-nitrophenylcarboxamido)benzoic acid | CHEMBL365182
Type:
Small organic molecule
Emp. Form.:
C29H20N4O10
Mol. Mass.:
584.4899
SMILES:
OC(=O)c1cc(Cc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)c(c2)C(O)=O)ccc1NC(=O)c1cccc(c1)[N+]([O-])=O
Structure:
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