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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50399690
Substrate
n/a
Meas. Tech.
ChEMBL_876789 (CHEMBL2183606)
IC50
1100±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:
BDBM50399690
Synonyms:
CHEMBL2178938
Type:
Small organic molecule
Emp. Form.:
C23H28N4O4
Mol. Mass.:
424.4928
SMILES:
CC(C)(NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cncc(n1)C(N)=O)C(O)=O |r,wU:10.13,wD:7.6,(75.46,-31.72,;76.24,-30.39,;77,-31.72,;74.9,-29.62,;73.57,-30.39,;73.57,-31.93,;72.24,-29.62,;70.9,-30.39,;69.57,-29.62,;68.23,-30.39,;68.24,-31.93,;69.57,-32.7,;70.9,-31.93,;66.9,-32.7,;66.91,-34.25,;65.57,-35.02,;64.24,-34.25,;64.24,-32.71,;65.57,-31.93,;62.91,-35.02,;62.91,-36.55,;61.58,-37.32,;60.24,-36.55,;60.24,-35.01,;61.57,-34.24,;58.91,-34.24,;57.57,-35.01,;58.91,-32.7,;77.57,-29.62,;78.91,-30.39,;77.57,-28.08,)|
Structure:
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