Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223502
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:
BDBM223502
Synonyms:
US9321728, 21
Type:
Small organic molecule
Emp. Form.:
C29H30F3N3O5
Mol. Mass.:
557.5608
SMILES:
Cc1ccccc1-c1nc(C(=O)NCCC(=O)Nc2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(o1)C(F)(F)F |r,wD:27.29,$;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$,(-10.42,4.31,;-11.19,2.98,;-12.73,2.98,;-13.5,1.64,;-12.73,.31,;-11.19,.31,;-10.42,1.64,;-8.88,1.64,;-7.97,.4,;-6.51,.87,;-5.17,.1,;-5.17,-1.44,;-3.84,.87,;-2.51,.1,;-1.17,.87,;.16,.1,;.16,-1.44,;1.49,.87,;2.83,.1,;2.83,-1.44,;4.16,-2.21,;5.5,-1.44,;5.5,.1,;4.16,.87,;6.83,-2.21,;8.16,-1.44,;9.5,-2.21,;9.5,-3.75,;10.83,-4.52,;12.16,-3.75,;13.5,-4.52,;12.16,-2.21,;8.16,-4.52,;6.83,-3.75,;-6.47,2.44,;-7.97,2.89,;-5.23,3.34,;-3.98,4.25,;-6.13,4.59,;-4.32,2.1,)|
Structure:
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