Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223515
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
<50±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:
BDBM223515
Synonyms:
US9321728, 64
Type:
Small organic molecule
Emp. Form.:
C28H26Cl2F3N3O5
Mol. Mass.:
612.424
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccc(Cl)cc2Cl)cc1 |r,wD:4.3,$;;;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;;;;;$,(14.27,-4.52,;12.93,-3.75,;12.93,-2.21,;11.6,-4.52,;10.27,-3.75,;10.27,-2.21,;8.93,-1.44,;7.6,-2.21,;7.6,-3.75,;8.93,-4.52,;6.27,-1.44,;4.93,-2.21,;3.6,-1.44,;3.6,.1,;2.26,.87,;.93,.1,;.93,-1.44,;-.4,.87,;-1.74,.1,;-3.07,.87,;-4.4,.1,;-4.4,-1.44,;-5.74,.87,;-7.2,.4,;-8.11,1.64,;-7.2,2.89,;-5.7,2.44,;-4.46,3.34,;-3.21,4.25,;-5.36,4.59,;-3.55,2.1,;-9.65,1.64,;-10.42,2.98,;-11.96,2.98,;-12.73,1.64,;-14.27,1.64,;-11.96,.31,;-10.42,.31,;-9.65,-1.02,;4.93,.87,;6.27,.1,)|
Structure:
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