Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223522
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:
BDBM223522
Synonyms:
US9321728, 79
Type:
Small organic molecule
Emp. Form.:
C28H26ClF3N3O5
Mol. Mass.:
576.972
SMILES:
[O-]C(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2Cl)cc1 |r,wU:4.3,$;;;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;;;;$,(9.01,-6.37,;10.34,-5.6,;11.67,-6.37,;10.34,-4.06,;9.01,-3.29,;7.67,-4.06,;6.34,-3.29,;6.34,-1.75,;7.67,-.98,;9.01,-1.75,;5,-.98,;5,.56,;3.67,1.33,;2.34,.56,;1,1.33,;-.33,.56,;-.33,-.98,;-1.66,1.33,;-3,.56,;-4.33,1.33,;-5.66,.56,;-5.66,-.98,;-7,1.33,;-8.41,.7,;-9.44,1.84,;-8.67,3.18,;-7.16,2.86,;-6.02,3.89,;-4.87,4.92,;-7.05,5.03,;-4.98,2.74,;-10.97,1.68,;-11.87,2.93,;-13.4,2.77,;-14.03,1.36,;-13.13,.12,;-11.59,.28,;-10.69,-.97,;2.34,-.98,;3.67,-1.75,)|
Structure:
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