Reaction Details Report a problem with these data
Target
Acyl-CoA wax alcohol acyltransferase 2
Ligand
BDBM50579519
Substrate
n/a
Meas. Tech.
ChEMBL_2135456 (CHEMBL4845066)
IC50
>33000±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:
Acyl-CoA wax alcohol acyltransferase 2
Synonyms:
ARAT | AWAT2 | AWAT2_HUMAN | Acyl-CoA retinol O-fatty-acyltransferase | DC4 | DGAT2L4 | Diacylglycerol O-acyltransferase 2-like protein 4 | Diacylglycerol O-acyltransferase candidate 4 | Long-chain-alcohol O-fatty-acyltransferase 2 | MFAT | Multifunctional O-acyltransferase | Retinol O-fatty-acyltransferase | WS | Wax synthase | hDC4 | hWS
Type:
PROTEIN
Mol. Mass.:
38111.73
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107584
Residue:
333
Sequence:
MLLPSKKDLKTALDVFAVFQWSFSALLITTTVIAVNLYLVVFTPYWPVTVLILTWLAFDWKTPQRGGRRFTCVRHWRLWKHYSDYFPLKLLKTHDICPSRNYILVCHPHGLFAHGWFGHFATEASGFSKIFPGITPYILTLGAFFWMPFLREYVMSTGACSVSRSSIDFLLTHKGTGNMVIVVIGGLAECRYSLPGSSTLVLKNRSGFVRMALQHGVPLIPAYAFGETDLYDQHIFTPGGFVNRFQKWFQSMVHIYPCAFYGRGFTKNSWGLLPYSRPVTTIVGEPLPMPKIENPSQEIVAKYHTLYIDALRKLFDQHKTKFGISETQELEII
  
Inhibitor
Name:
BDBM50579519
Synonyms:
CHEMBL3912712
Type:
Small organic molecule
Emp. Form.:
C24H21F6N5O2
Mol. Mass.:
525.4463
SMILES:
Cc1ccc(cc1)C1=C(c2nn[nH]n2)C(O)=N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8,17|
Structure:
Search PDB for entries with ligand similarity: