Reaction Details  Report a problem with these data
Target
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
Ligand
BDBM50579520
Substrate
n/a
Meas. Tech.
ChEMBL_2135438 (CHEMBL4845048)
IC50
5.5±n/a nM
Citation
 Turdi, H; Chao, H; Hangeland, JJ; Ahmad, S; Meng, W; Brigance, R; Zhao, G; Wang, W; Moore, F; Ye, XY; Mathur, A; Hou, X; Kempson, J; Wu, DR; Li, YX; Azzara, AV; Ma, Z; Chu, CH; Chen, L; Cullen, MJ; Rooney, S; Harvey, S; Kopcho, L; Panemangelor, R; Abell, L; O'Malley, K; Keim, WJ; Dierks, E; Chang, S; Foster, K; Apedo, A; Harden, D; Dabros, M; Gao, Q; Pelleymounter, MA; Whaley, JM; Robl, JA; Cheng, D; Lawrence, RM; Devasthale, P Screening Hit to Clinical Candidate: Discovery of BMS-963272, a Potent, Selective MGAT2 Inhibitor for the Treatment of Metabolic Disorders. J Med Chem 64:14773-14792 (2021) [PubMed]  Article
Target
Name:
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
Synonyms:
2.4.1.143 | Beta-1,2-N-acetylglucosaminyltransferase II | GNT-II | GlcNAc-T II | MGAT2 | MGAT2_HUMAN | Mannoside acetylglucosaminyltransferase 2 | Monoacylglycerol acyltransferase 2 (MGAT2) | Monoacylglycerol acyltransferase type 2 (h-MGAT2) | N-glycosyl-oligosaccharide-glycoprotein N-acetylglucosaminyltransferase II | h-MGAT2 (human monoacylglycerol acyltransferase type 2)
Type:
n/a
Mol. Mass.:
51567.80
Organism:
Homo sapiens (Human)
Description:
Q10469
Residue:
447
Sequence:
MRFRIYKRKVLILTLVVAACGFVLWSSNGRQRKNEALAPPLLDAEPARGAGGRGGDHPSVAVGIRRVSNVSAASLVPAVPQPEADNLTLRYRSLVYQLNFDQTLRNVDKAGTWAPRELVLVVQVHNRPEYLRLLLDSLRKAQGIDNVLVIFSHDFWSTEINQLIAGVNFCPVLQVFFPFSIQLYPNEFPGSDPRDCPRDLPKNAALKLGCINAEYPDSFGHYREAKFSQTKHHWWWKLHFVWERVKILRDYAGLILFLEEDHYLAPDFYHVFKKMWKLKQQECPECDVLSLGTYSASRSFYGMADKVDVKTWKSTEHNMGLALTRNAYQKLIECTDTFCTYDDYNWDWTLQYLTVSCLPKFWKVLVPQIPRIFHAGDCGMHHKKTCRPSTQSAQIESLLNNNKQYMFPETLTISEKFTVVAISPPRKNGGWGDIRDHELCKSYRRLQ
  
Inhibitor
Name:
BDBM50579520
Synonyms:
CHEMBL4851952
Type:
Small organic molecule
Emp. Form.:
C24H24F3N5OS
Mol. Mass.:
487.54
SMILES:
CCCCSc1ccc(cc1)[C@@]1(CC(=C(c2nnn[nH]2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |r,t:14|
Structure:
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