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Target
Integrase
Ligand
BDBM50183273
Substrate
n/a
Meas. Tech.
ChEMBL_1336115 (CHEMBL3240943)
IC50
8100±n/a nM
Citation
 Costi, R; Métifiot, M; Chung, S; Cuzzucoli Crucitti, G; Maddali, K; Pescatori, L; Messore, A; Madia, VN; Pupo, G; Scipione, L; Tortorella, S; Di Leva, FS; Cosconati, S; Marinelli, L; Novellino, E; Le Grice, SF; Corona, A; Pommier, Y; Marchand, C; Di Santo, R Basic quinolinonyl diketo acid derivatives as inhibitors of HIV integrase and their activity against RNase H function of reverse transcriptase. J Med Chem 57:3223-34 (2014) [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:
BDBM50183273
Synonyms:
(S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 6-(3-Chloro-2-fluorobenzyl)-1-((2S)-1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | CHEMBL204656 | ELVITEGRAVIR
Type:
Small organic molecule
Emp. Form.:
C23H23ClFNO5
Mol. Mass.:
447.884
SMILES:
COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Structure:
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