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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50399698
Substrate
n/a
Meas. Tech.
ChEMBL_876789 (CHEMBL2183606)
IC50
>9100±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:
BDBM50399698
Synonyms:
CHEMBL2178930
Type:
Small organic molecule
Emp. Form.:
C22H27N3O3
Mol. Mass.:
381.4681
SMILES:
CCc1nc(C)c(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O |r,wU:15.16,wD:18.20,(67.34,-12.09,;67.33,-10.55,;66,-9.78,;64.67,-10.55,;63.33,-9.78,;61.99,-10.55,;63.33,-8.24,;64.66,-7.47,;66,-8.25,;67.33,-7.48,;68.66,-8.25,;70,-7.48,;69.99,-5.93,;68.66,-5.16,;67.33,-5.93,;71.33,-5.16,;71.32,-3.62,;72.65,-2.85,;73.99,-3.62,;75.32,-2.85,;76.66,-3.62,;77.99,-2.85,;76.66,-5.16,;73.99,-5.16,;72.66,-5.93,;62,-7.47,;60.66,-8.24,;62,-5.93,)|
Structure:
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