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Target
Integrase
Ligand
BDBM50123468
Substrate
n/a
Meas. Tech.
ChEMBL_88772 (CHEMBL701804)
EC50
140±n/a nM
Citation
 Zhuang, L; Wai, JS; Embrey, MW; Fisher, TE; Egbertson, MS; Payne, LS; Guare, JP; Vacca, JP; Hazuda, DJ; Felock, PJ; Wolfe, AL; Stillmock, KA; Witmer, MV; Moyer, G; Schleif, WA; Gabryelski, LJ; Leonard, YM; Lynch, JJ; Michelson, SR; Young, SD Design and synthesis of 8-hydroxy-[1,6]naphthyridines as novel inhibitors of HIV-1 integrase in vitro and in infected cells. J Med Chem 46:453-6 (2003) [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:
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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