Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223505
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:
BDBM223505
Synonyms:
US9321728, 31
Type:
Small organic molecule
Emp. Form.:
C28H31N3O5
Mol. Mass.:
489.5628
SMILES:
Cc1oc(nc1C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(O)=O)CC1)-c1ccccc1 |r,wD:23.25,$;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$,(-5.17,3.85,;-6.51,3.08,;-7.97,3.56,;-8.88,2.31,;-7.97,1.06,;-6.51,1.54,;-5.17,.77,;-5.17,-.77,;-3.84,1.54,;-2.51,.77,;-1.17,1.54,;.16,.77,;.16,-.77,;1.49,1.54,;2.83,.77,;2.83,-.77,;4.16,-1.54,;5.5,-.77,;5.5,.77,;4.16,1.54,;6.83,-1.54,;8.16,-.77,;9.5,-1.54,;9.5,-3.08,;10.83,-3.85,;12.16,-3.08,;13.5,-3.85,;12.16,-1.54,;8.16,-3.85,;6.83,-3.08,;-10.42,2.31,;-11.19,3.64,;-12.73,3.64,;-13.5,2.31,;-12.73,.98,;-11.19,.98,)|
Structure:
Search PDB for entries with ligand similarity: