Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50115571
Substrate
n/a
Meas. Tech.
ChEMBL_88608 (CHEMBL873101)
IC50
>100000±n/a nM
Citation
 Pais, GC; Zhang, X; Marchand, C; Neamati, N; Cowansage, K; Svarovskaia, ES; Pathak, VK; Tang, Y; Nicklaus, M; Pommier, Y; Burke, TR Structure activity of 3-aryl-1,3-diketo-containing compounds as HIV-1 integrase inhibitors. J Med Chem 45:3184-94 (2002) [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:
BDBM50115571
Synonyms:
3-[1-(3,5-Dimethoxy-benzyl)-1H-tetrazol-5-yl]-3-hydroxy-1-(1H-indol-3-yl)-propenone | CHEMBL108240
Type:
Small organic molecule
Emp. Form.:
C21H19N5O4
Mol. Mass.:
405.4067
SMILES:
COc1cc(Cn2nnnc2C(=O)CC(=O)c2c[nH]c3ccccc23)cc(OC)c1
Structure:
Search PDB for entries with ligand similarity: