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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50399692
Substrate
n/a
Meas. Tech.
ChEMBL_876789 (CHEMBL2183606)
IC50
1900±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:
BDBM50399692
Synonyms:
CHEMBL2178936
Type:
Small organic molecule
Emp. Form.:
C19H22N4O2
Mol. Mass.:
338.4036
SMILES:
NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cncc(n1)C(N)=O |r,wU:7.10,wD:4.3,(36.86,-29.48,;35.53,-30.25,;35.53,-31.79,;34.2,-29.48,;32.86,-30.25,;31.53,-29.49,;30.19,-30.26,;30.2,-31.79,;31.53,-32.56,;32.86,-31.8,;28.86,-32.57,;28.87,-34.12,;27.53,-34.89,;26.2,-34.12,;26.2,-32.57,;27.53,-31.8,;24.87,-34.89,;24.87,-36.42,;23.54,-37.19,;22.2,-36.42,;22.2,-34.88,;23.53,-34.11,;20.87,-34.11,;19.53,-34.88,;20.87,-32.57,)|
Structure:
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