Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223513
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
<500±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:
BDBM223513
Synonyms:
US9321728, 58
Type:
Small organic molecule
Emp. Form.:
C28H34N2O5
Mol. Mass.:
478.58
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2ccc(OCC3CC3)cc2)cc1 |r,wD:4.3,$;;;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;$,(14.11,-4.52,;12.77,-3.75,;12.77,-2.21,;11.44,-4.52,;10.11,-3.75,;10.11,-2.21,;8.77,-1.44,;7.44,-2.21,;7.44,-3.75,;8.77,-4.52,;6.1,-1.44,;4.77,-2.21,;3.44,-1.44,;3.44,.1,;2.1,.87,;.77,.1,;.77,-1.44,;-.56,.87,;-1.9,.1,;-3.23,.87,;-4.56,.1,;-4.56,-1.44,;-5.9,.87,;-7.23,.1,;-8.57,.87,;-8.57,2.41,;-9.9,3.18,;-11.23,2.41,;-12.57,3.18,;-14.11,3.18,;-13.34,4.52,;-7.23,3.18,;-5.9,2.41,;4.77,.87,;6.1,.1,)|
Structure:
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