Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223517
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:
BDBM223517
Synonyms:
US9321728, 66
Type:
Small organic molecule
Emp. Form.:
C29H27F6N3O5
Mol. Mass.:
611.5322
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2C(F)(F)F)cc1 |r,wD:4.3,$;;;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;$,(13.5,-5.08,;12.16,-4.31,;12.16,-2.77,;10.83,-5.08,;9.5,-4.31,;9.5,-2.77,;8.16,-2,;6.83,-2.77,;6.83,-4.31,;8.16,-5.08,;5.5,-2,;4.16,-2.77,;2.83,-2,;2.83,-.46,;1.49,.31,;.16,-.46,;.16,-2,;-1.17,.31,;-2.51,-.46,;-3.84,.31,;-5.17,-.46,;-5.17,-2,;-6.51,.31,;-7.97,-.17,;-8.88,1.08,;-7.97,2.33,;-6.47,1.87,;-5.23,2.78,;-3.98,3.68,;-6.13,4.02,;-4.32,1.53,;-10.42,1.08,;-11.19,-.25,;-12.73,-.25,;-13.5,1.08,;-12.73,2.41,;-11.16,2.46,;-10.39,3.79,;-9.62,5.13,;-11.72,4.56,;-9.06,3.02,;4.16,.31,;5.5,-.46,)|
Structure:
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