Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50176120
Substrate
n/a
Meas. Tech.
ChEMBL_321433 (CHEMBL880241)
IC50
760±n/a nM
Citation
 Barreca, ML; Ferro, S; Rao, A; De Luca, L; Zappalà, M; Monforte, AM; Debyser, Z; Witvrouw, M; Chimirri, A Pharmacophore-based design of HIV-1 integrase strand-transfer inhibitors. J Med Chem 48:7084-8 (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:
BDBM50176120
Synonyms:
(Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but-2-enoic acid ethyl ester | CHEMBL362916
Type:
Small organic molecule
Emp. Form.:
C21H19NO4
Mol. Mass.:
349.3799
SMILES:
CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: