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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50399696
Substrate
n/a
Meas. Tech.
ChEMBL_876789 (CHEMBL2183606)
IC50
>10000±n/a nM
Citation
 Barlind, JG; Bauer, UA; Birch, AM; Birtles, S; Buckett, LK; Butlin, RJ; Davies, RD; Eriksson, JW; Hammond, CD; Hovland, R; Johannesson, P; Johansson, MJ; Kemmitt, PD; Lindmark, BT; Morentin Gutierrez, P; Noeske, TA; Nordin, A; O'Donnell, CJ; Petersson, AU; Redzic, A; Turnbull, AV; Vinblad, J Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687). J Med Chem 55:10610-29 (2012) [PubMed]  Article 
Target
Name:
Diacylglycerol O-acyltransferase 1
Synonyms:
ACAT-related gene product 1 | AGRP1 | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | DGAT | DGAT1 | DGAT1_HUMAN | Diacylglycerol Acyltransferase (DGAT1) | Diacylglycerol O-acyltransferase 1 | Diacylglycerol O-acyltransferase 1 (DGAT1) | Diglyceride acyltransferase
Type:
Protein
Mol. Mass.:
55297.82
Organism:
Homo sapiens (Human)
Description:
O75907
Residue:
488
Sequence:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVGSGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPAAVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHTVSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREFYRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVSVPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLNYEAPAAEA
  
Inhibitor
Name:
BDBM50399696
Synonyms:
CHEMBL2178932
Type:
Small organic molecule
Emp. Form.:
C26H27N3O3
Mol. Mass.:
429.5109
SMILES:
Cc1nc(-c2ccccc2)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:22.24,wD:25.28,(19.12,-23.51,;20.45,-22.74,;21.79,-23.51,;23.12,-22.74,;24.45,-23.5,;24.45,-25.05,;25.78,-25.81,;27.12,-25.04,;27.11,-23.49,;25.78,-22.73,;23.12,-21.21,;21.78,-20.43,;20.45,-21.2,;19.12,-20.43,;17.78,-21.2,;19.12,-18.89,;24.45,-20.44,;25.78,-21.21,;27.12,-20.44,;27.11,-18.88,;25.78,-18.12,;24.45,-18.89,;28.45,-18.11,;28.44,-16.58,;29.78,-15.81,;31.11,-16.57,;32.45,-15.8,;33.78,-16.57,;35.11,-15.8,;33.78,-18.11,;31.11,-18.12,;29.78,-18.88,)|
Structure:
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