Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223519
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:
BDBM223519
Synonyms:
US9321728, 69
Type:
Small organic molecule
Emp. Form.:
C28H25Cl2F3N3O5
Mol. Mass.:
611.417
SMILES:
[O-]C(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2c(Cl)cccc2Cl)cc1 |r,wU:4.3,$;;;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;;;;;$,(8.39,-.06,;8.39,1.48,;9.72,2.25,;7.06,2.25,;5.72,1.48,;5.72,-.06,;4.39,-.83,;3.06,-.06,;3.06,1.48,;4.39,2.25,;1.72,-.83,;.39,-.06,;-.95,-.83,;-.95,-2.37,;-2.28,-3.14,;-2.28,-4.68,;-.95,-5.45,;-3.61,-5.45,;-4.95,-4.68,;-4.95,-3.14,;-6.28,-2.37,;-7.61,-3.14,;-6.28,-.83,;-5.03,.07,;-5.51,1.54,;-7.05,1.54,;-7.53,.07,;-8.99,-.4,;-10.46,-.88,;-9.47,1.06,;-8.51,-1.87,;-4.6,2.78,;-5.23,4.19,;-6.76,4.35,;-4.33,5.44,;-2.79,5.27,;-2.17,3.87,;-3.07,2.62,;-2.45,1.21,;.39,-3.14,;1.72,-2.37,)|
Structure:
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