Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM209568
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:
BDBM209568
Synonyms:
US9271969, 56
Type:
Small organic molecule
Emp. Form.:
C28H26F3N3O4S
Mol. Mass.:
557.584
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(12.38,3.33,;10.84,3.33,;10.07,4.67,;10.07,2,;8.53,2,;7.76,3.33,;6.22,3.33,;5.45,2,;6.22,.67,;7.76,.67,;3.91,2,;3.14,.67,;1.6,.67,;.83,2,;1.6,3.33,;3.14,3.33,;-.71,2,;-1.62,.75,;-3.08,1.23,;-4.54,.75,;-5.45,2,;-4.54,3.25,;-3.08,2.77,;-1.62,3.25,;-6.99,2,;-7.76,3.33,;-7.76,.67,;-9.3,.67,;-10.07,-.67,;-9.3,-2,;-10.07,-3.33,;-11.61,-3.33,;-12.38,-4.67,;-13.87,-5.07,;-15.35,-5.47,;-13.47,-6.55,;-13.87,-3.53,;-12.38,-2,;-11.61,-.67,)|
Structure:
Search PDB for entries with ligand similarity: