Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223527
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:
BDBM223527
Synonyms:
US9321728, 95
Type:
Small organic molecule
Emp. Form.:
C27H27Cl2N3O5
Mol. Mass.:
544.426
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2Cl)-c2ccccc2Cl)cc1 |r,wD:4.3,$;;;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;$,(13.5,-4.41,;12.16,-3.64,;12.16,-2.1,;10.83,-4.41,;9.5,-3.64,;9.5,-2.1,;8.16,-1.33,;6.83,-2.1,;6.83,-3.64,;8.16,-4.41,;5.5,-1.33,;4.16,-2.1,;2.83,-1.33,;2.83,.21,;1.49,.98,;.16,.21,;.16,-1.33,;-1.17,.98,;-2.51,.21,;-3.84,.98,;-5.17,.21,;-5.17,-1.33,;-6.51,.98,;-7.97,.5,;-8.88,1.75,;-7.97,2.99,;-6.51,2.52,;-5.17,3.29,;-10.42,1.75,;-11.19,.41,;-12.73,.41,;-13.5,1.75,;-12.73,3.08,;-11.19,3.08,;-10.42,4.41,;4.16,.98,;5.5,.21,)|
Structure:
Search PDB for entries with ligand similarity: