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Target
Integrase
Ligand
BDBM50017362
Substrate
n/a
Meas. Tech.
ChEMBL_1363202 (CHEMBL3294150)
IC50
10.0±n/a nM
Citation
 Suchaud, V; Bailly, F; Lion, C; Calmels, C; Andréola, ML; Christ, F; Debyser, Z; Cotelle, P Investigation of a novel series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as human immunodeficiency virus type 1 integrase inhibitors. J Med Chem 57:4640-60 (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:
BDBM50017362
Synonyms:
CHEMBL3288268
Type:
Small organic molecule
Emp. Form.:
C18H15N3O7
Mol. Mass.:
385.3276
SMILES:
COc1ccc(CNC(=O)c2c(O)n(O)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Structure:
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