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Target
Integrase
Ligand
BDBM50123471
Substrate
n/a
Meas. Tech.
ChEMBL_321311 (CHEMBL881407)
IC50
50±n/a nM
Citation
 Barreca, ML; Ferro, S; Rao, A; De Luca, L; Zappalà, M; Monforte, AM; Debyser, Z; Witvrouw, M; Chimirri, A Pharmacophore-based design of HIV-1 integrase strand-transfer inhibitors. J Med Chem 48:7084-8 (2005) [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:
BDBM50123471
Synonyms:
(4-Benzyl-pyridin-2-yl)-(8-hydroxy-quinolin-7-yl)-methanone | (4-benzylpyridin-2-yl)(8-hydroxyquinolin-7-yl)methanone | CHEMBL142072
Type:
Small organic molecule
Emp. Form.:
C22H16N2O2
Mol. Mass.:
340.3746
SMILES:
Oc1c(ccc2cccnc12)C(=O)c1cc(Cc2ccccc2)ccn1
Structure:
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