Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223498
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
<100±n/a nM
Citation
 Ahn, JH; Pagire, HS; Rhee, SD; Kim, KY; Jung, WH; Bae, M; Song, JS; Kim, K; Kwak, HJ Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient US Patent  US9321728 Publication Date 4/26/2016 
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:
BDBM223498
Synonyms:
US9321728, 7
Type:
Small organic molecule
Emp. Form.:
C28H29F3N4O4
Mol. Mass.:
542.5495
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2cn(nc2C(F)(F)F)-c2ccccc2)cc1 |r,wD:4.3,(12.3,5.78,;10.97,5.01,;10.97,3.47,;9.64,5.78,;8.3,5.01,;6.97,5.78,;5.64,5.01,;5.64,3.47,;6.97,2.7,;8.3,3.47,;4.3,2.7,;4.3,1.16,;2.97,.39,;1.64,1.16,;.3,.39,;-1.03,1.16,;-1.03,2.7,;-2.37,.39,;-3.7,1.16,;-5.03,.39,;-6.37,1.16,;-6.37,2.7,;-7.7,.39,;-7.7,-1.15,;-9.17,-1.63,;-10.07,-.38,;-9.17,.87,;-9.94,2.2,;-10.71,3.53,;-11.27,1.43,;-8.6,2.97,;-9.98,-3.11,;-11.52,-3.1,;-12.3,-4.42,;-11.55,-5.76,;-10.01,-5.78,;-9.22,-4.46,;1.64,2.7,;2.97,3.47,)|
Structure:
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