Reaction Details Report a problem with these data
Target
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase
Ligand
BDBM201239
Substrate
n/a
Meas. Tech.
ChEMBL_2135455 (CHEMBL4845065)
IC50
>820±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:
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase
Synonyms:
GGNT3 | GNT-III | GlcNAc-T III | MGAT3 | MGAT3_HUMAN | N-acetylglucosaminyltransferase III | N-glycosyl-oligosaccharide-glycoprotein N-acetylglucosaminyltransferase III
Type:
PROTEIN
Mol. Mass.:
61324.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107586
Residue:
533
Sequence:
MKMRRYKLFLMFCMAGLCLISFLHFFKTLSYVTFPRELASLSPNLVSSFFWNNAPVTPQASPEPGGPDLLRTPLYSHSPLLQPLPPSKAAEELHRVDLVLPEDTTEYFVRTKAGGVCFKPGTKMLERPPPGRPEEKPEGANGSSARRPPRYLLSARERTGGRGARRKWVECVCLPGWHGPSCGVPTVVQYSNLPTKERLVPREVPRRVINAINVNHEFDLLDVRFHELGDVVDAFVVCESNFTAYGEPRPLKFREMLTNGTFEYIRHKVLYVFLDHFPPGGRQDGWIADDYLRTFLTQDGVSRLRNLRPDDVFIIDDADEIPARDGVLFLKLYDGWTEPFAFHMRKSLYGFFWKQPGTLEVVSGCTVDMLQAVYGLDGIRLRRRQYYTMPNFRQYENRTGHILVQWSLGSPLHFAGWHCSWCFTPEGIYFKLVSAQNGDFPRWGDYEDKRDLNYIRGLIRTGGWFDGTQQEYPPADPSEHMYAPKYLLKNYDRFHYLLDNPYQEPRSTAAGGWRHRGPEGRPPARGKLDEAEV
  
Inhibitor
Name:
BDBM201239
Synonyms:
US9187424, 6-2
Type:
Small organic molecule
Emp. Form.:
C31H28F6N2O4
Mol. Mass.:
606.5554
SMILES:
COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1 |r,t:9|
Structure:
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