Reaction Details
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Report a problem with these dataTarget
Integrase
Ligand
BDBM50011009
Substrate
n/a
Meas. Tech.
ChEMBL_1351354 (CHEMBL3266567)
Kd
49±n/a nM
Citation
Fader, LD; Malenfant, E; Parisien, M; Carson, R; Bilodeau, F; Landry, S; Pesant, M; Brochu, C; Morin, S; Chabot, C; Halmos, T; Bousquet, Y; Bailey, MD; Kawai, SH; Coulombe, R; LaPlante, S; Jakalian, A; Bhardwaj, PK; Wernic, D; Schroeder, P; Amad, M; Edwards, P; Garneau, M; Duan, J; Cordingley, M; Bethell, R; Mason, SW; Bös, M; Bonneau, P; Poupart, MA; Faucher, AM; Simoneau, B; Fenwick, C; Yoakim, C; Tsantrizos, Y Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1. ACS Med Chem Lett 5:422-7 (2014) [PubMed] Article More Info.:
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:
BDBM50011009
Synonyms:
CHEMBL3259898
Type:
Small organic molecule
Emp. Form.:
C22H22ClNO3
Mol. Mass.:
383.868
SMILES:
Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(O)=O |r|
Structure:
