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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50399682
Substrate
n/a
Meas. Tech.
ChEMBL_876789 (CHEMBL2183606)
IC50
70±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:
BDBM50399682
Synonyms:
CHEMBL2178946
Type:
Small organic molecule
Emp. Form.:
C21H24ClN3O3
Mol. Mass.:
401.887
SMILES:
Cc1nc(C)c(nc1C(N)=O)-c1ccc([C@@H]2CC[C@H](CC(O)=O)CC2)c(Cl)c1 |r,wU:15.15,18.19,(2.81,-20.05,;4.14,-19.28,;5.48,-20.05,;6.81,-19.28,;8.14,-20.05,;6.81,-17.74,;5.47,-16.97,;4.14,-17.74,;2.81,-16.97,;1.47,-17.73,;2.81,-15.43,;8.14,-16.98,;8.14,-15.43,;9.47,-14.66,;10.8,-15.42,;12.14,-14.65,;13.47,-15.42,;14.8,-14.65,;14.8,-13.11,;16.14,-12.34,;17.47,-13.11,;18.8,-12.34,;17.47,-14.65,;13.47,-12.34,;12.13,-13.12,;10.81,-16.97,;12.14,-17.74,;9.47,-17.75,)|
Structure:
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