Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50076176
Substrate
n/a
Meas. Tech.
ChEMBL_1473839 (CHEMBL3418916)
IC50
43±n/a nM
Citation
 Cuzzucoli Crucitti, G; Métifiot, M; Pescatori, L; Messore, A; Madia, VN; Pupo, G; Saccoliti, F; Scipione, L; Tortorella, S; Esposito, F; Corona, A; Cadeddu, M; Marchand, C; Pommier, Y; Tramontano, E; Costi, R; Di Santo, R Structure-activity relationship of pyrrolyl diketo acid derivatives as dual inhibitors of HIV-1 integrase and reverse transcriptase ribonuclease H domain. J Med Chem 58:1915-28 (2015) [PubMed]  Article
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50076176
Synonyms:
CHEMBL3415846
Type:
Small organic molecule
Emp. Form.:
C21H17FN2O3
Mol. Mass.:
364.3697
SMILES:
N\C(=C/C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1)C(O)=O
Structure:
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