Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50190612
Substrate
n/a
Meas. Tech.
ChEMBL_371483 (CHEMBL862913)
IC50
187000±n/a nM
Citation
 Sechi, M; Bacchi, A; Carcelli, M; Compari, C; Duce, E; Fisicaro, E; Rogolino, D; Gates, P; Derudas, M; Al-Mawsawi, LQ; Neamati, N From ligand to complexes: inhibition of human immunodeficiency virus type 1 integrase by beta-diketo acid metal complexes. J Med Chem 49:4248-60 (2006) [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:
BDBM50190612
Synonyms:
(2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-but-2-enoic acid methyl ester | CHEMBL2070203 | CHEMBL208722
Type:
Small organic molecule
Emp. Form.:
C16H14FNO4
Mol. Mass.:
303.2851
SMILES:
COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Structure:
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