Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDiacylglycerol O-acyltransferase 1
LigandBDBM50020048
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1363771 (CHEMBL3294188)
IC50 20±n/a nM
Citation Zhou, GZorn, NTing, PAslanian, RLin, MCook, JLachowicz, JLin, ASmith, MHwa, Jvan Heek, MWalker, S Development of novel benzomorpholine class of diacylglycerol acyltransferase I inhibitors. ACS Med Chem Lett5:544-9 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Diacylglycerol O-acyltransferase 1
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:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVG
SGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQV
VSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPA
AVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHT
VSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWM
VPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREF
YRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVS
VPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLN
YEAPAAEA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50020048
n/a
NameBDBM50020048
Synonyms:CHEMBL3287876
TypeSmall organic molecule
Emp. Form.C30H29F3N2O4
Mol. Mass.538.5575
SMILESOC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1C(F)(F)F |r,wU:4.3,wD:7.10,(23.18,-11.66,;21.64,-11.66,;20.87,-12.99,;20.87,-10.32,;19.33,-10.32,;18.56,-11.66,;17.02,-11.66,;16.25,-10.32,;17.02,-8.99,;18.56,-8.99,;14.71,-10.32,;13.94,-11.66,;12.4,-11.66,;11.63,-10.32,;12.4,-8.99,;13.94,-8.99,;10.09,-10.32,;9.32,-8.99,;7.78,-8.99,;7.01,-10.32,;5.47,-10.32,;4.7,-11.66,;5.47,-12.99,;7.01,-12.99,;7.78,-11.66,;9.32,-11.66,;4.7,-8.99,;5.47,-7.66,;3.16,-8.99,;2.39,-7.66,;3.16,-6.32,;2.39,-4.99,;.85,-4.99,;.08,-6.32,;.85,-7.66,;.08,-8.99,;.61,-10.39,;-.69,-10.32,;-1.52,-9.56,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: