Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209578
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
<10±n/a nM
Comments
extracted
Citation
 Kim, D; Bok, J; Shin, S Compounds as inhibitors of diacylglycerol O-acyltransferase type 1 enzyme US Patent  US9271969 Publication Date 3/1/2016 
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:
BDBM209578
Synonyms:
US9271969, 66
Type:
Small organic molecule
Emp. Form.:
C32H32F3N3O4
Mol. Mass.:
579.6094
SMILES:
CC(C)([C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1)C(O)=O |r,wD:3.2,(8.55,-7.08,;9.32,-5.75,;10.09,-7.08,;7.98,-4.98,;7.98,-3.44,;6.65,-2.67,;5.32,-3.44,;5.32,-4.98,;6.65,-5.75,;3.98,-2.67,;2.65,-3.44,;1.32,-2.67,;1.32,-1.13,;2.65,-.36,;3.98,-1.13,;-.02,-.36,;-.02,1.18,;-1.35,1.95,;-2.69,1.18,;-4.15,1.66,;-5.06,.41,;-4.15,-.83,;-2.69,-.36,;-1.35,-1.13,;-6.59,.41,;-7.37,-.92,;-7.37,1.75,;-8.91,1.75,;-9.67,3.08,;-11.22,3.08,;-11.99,4.41,;-11.22,5.75,;-11.99,7.08,;-13.53,7.08,;-15.07,7.08,;-13.53,5.54,;-13.53,8.62,;-9.67,5.75,;-8.91,4.41,;10.65,-4.98,;11.99,-5.75,;10.65,-3.44,)|
Structure:
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