Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM395371
Substrate
n/a
Meas. Tech.
Measurement of DGAT1 Inhibitory Activity
IC50
76.0±n/a nM
Citation
 Saruta, K; Hayashi, N; Sakurai, O; Sawamoto, H; Ooboki, E Aromatic heterocyclic compound US Patent  US10308636 Publication Date 6/4/2019 
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:
BDBM395371
Synonyms:
US10308636, Example 57
Type:
Small organic molecule
Emp. Form.:
C23H23F3N4O4
Mol. Mass.:
476.4483
SMILES:
COC[C@@]1(CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cc1)-c1nnc([nH]1)C(F)(F)F)C(O)=O |r,wU:6.9,3.2,wD:3.34,(-7.7,9.27,;-7.7,7.73,;-9.03,6.96,;-9.03,5.42,;-9.03,3.88,;-7.7,3.11,;-6.36,3.88,;-6.36,5.42,;-7.7,6.19,;-5.03,3.11,;-3.69,3.88,;-3.69,5.42,;-2.36,6.19,;-1.03,5.42,;-1.03,3.88,;-2.36,3.11,;.31,6.19,;1.64,5.42,;2.97,6.19,;2.97,7.73,;1.64,8.5,;.31,7.73,;4.31,8.5,;5.77,8.02,;6.68,9.27,;5.77,10.51,;4.31,10.04,;6.17,12,;5.08,13.09,;7.66,12.4,;7.26,10.91,;-10.36,6.19,;-11.7,5.42,;-10.36,7.73,)|
Structure:
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