Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223501
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:
BDBM223501
Synonyms:
US9321728, 19
Type:
Small organic molecule
Emp. Form.:
C29H30F3N3O5
Mol. Mass.:
557.5608
SMILES:
Cc1ccc(cc1)-c1nc(C(=O)NCCC(=O)Nc2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(o1)C(F)(F)F |r,wD:27.29,$;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$,(-14.27,1.64,;-12.73,1.64,;-11.96,.31,;-10.42,.31,;-9.65,1.64,;-10.42,2.98,;-11.96,2.98,;-8.11,1.64,;-7.2,.4,;-5.74,.87,;-4.4,.1,;-4.4,-1.44,;-3.07,.87,;-1.74,.1,;-.4,.87,;.93,.1,;.93,-1.44,;2.26,.87,;3.6,.1,;3.6,-1.44,;4.93,-2.21,;6.27,-1.44,;6.27,.1,;4.93,.87,;7.6,-2.21,;8.93,-1.44,;10.27,-2.21,;10.27,-3.75,;11.6,-4.52,;12.93,-3.75,;14.27,-4.52,;12.93,-2.21,;8.93,-4.52,;7.6,-3.75,;-5.7,2.44,;-7.2,2.89,;-4.46,3.34,;-3.21,4.25,;-5.36,4.59,;-3.55,2.1,)|
Structure:
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