Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50123468
Substrate
n/a
Meas. Tech.
ChEMBL_509666 (CHEMBL1004781)
IC50
10.0±n/a nM
Citation
 Di Santo, R; Costi, R; Roux, A; Miele, G; Crucitti, GC; Iacovo, A; Rosi, F; Lavecchia, A; Marinelli, L; Di Giovanni, C; Novellino, E; Palmisano, L; Andreotti, M; Amici, R; Galluzzo, CM; Nencioni, L; Palamara, AT; Pommier, Y; Marchand, C Novel quinolinonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, and biological activities. J Med Chem 51:4744-50 (2008) [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:
BDBM50123468
Synonyms:
CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -isothiazolidin-2-ylmethyl)-phenyl]-(8-hydroxy-[1,6]naphthyridin-7-yl)-methanone | [3-Benzyl-5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-ylmethyl)-phenyl]-(8-hydroxy-[1,6]naphthyridin-7-yl)-methanone | [3-benzyl-5-(1,1-dioxo-1lambda-6-isothiazolidin-2-ylmethyl)-phenyl]-(8-hydroxy-[1,6]naphthyridin-7-yl)-methanone
Type:
Small organic molecule
Emp. Form.:
C26H23N3O4S
Mol. Mass.:
473.544
SMILES:
Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1
Structure:
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