Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 2
Ligand
BDBM486370
Substrate
n/a
Meas. Tech.
DGAT2 Enzymatic Activity Assay
IC50
448±n/a nM
Citation
 Shen, D; Graham, TH; Jiang, J; Ding, F; Tudge, C Indole derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 US Patent  US10947222 Publication Date 3/16/2021 
Target
Name:
Diacylglycerol O-acyltransferase 2
Synonyms:
ARAT | Acyl-CoA retinol O-fatty-acyltransferase | DGAT2 | DGAT2_HUMAN | Diacylglycerol O-acyltransferase 2 (DGAT2) | Diglyceride acyltransferase 2 | Retinol O-fatty-acyltransferase
Type:
Multi-pass membrane protein
Mol. Mass.:
43848.90
Organism:
Homo sapiens (Human)
Description:
Q96PD7
Residue:
388
Sequence:
MKTLIAAYSGVLRGERQAEADRSQRSHGGPALSREGSGRWGTGSSILSALQDLFSVTWLNRSKVEKQLQVISVLQWVLSFLVLGVACSAILMYIFCTDCWLIAVLYFTWLVFDWNTPKKGGRRSQWVRNWAVWRYFRDYFPIQLVKTHNLLTTRNYIFGYHPHGIMGLGAFCNFSTEATEVSKKFPGIRPYLATLAGNFRMPVLREYLMSGGICPVSRDTIDYLLSKNGSGNAIIIVVGGAAESLSSMPGKNAVTLRNRKGFVKLALRHGADLVPIYSFGENEVYKQVIFEEGSWGRWVQKKFQKYIGFAPCIFHGRGLFSSDTWGLVPYSKPITTVVGEPITIPKLEHPTQQDIDLYHTMYMEALVKLFDKHKTKFGLPETEVLEVN
  
Inhibitor
Name:
BDBM486370
Synonyms:
3-(2-chlorophenyl)-2-cyano-1-(4- fluorophenyl)-N-(3-methyl-1,1- dioxidotetrahydrothiophen-3-yl)-1H- indole-6-carboxamide (Enantiomer A) | US10947222, Example 9-A
Type:
Small organic molecule
Emp. Form.:
C27H21ClFN3O3S
Mol. Mass.:
521.99
SMILES:
C[C@]1(CCS(=O)(=O)C1)NC(=O)c1ccc2c(c(C#N)n(-c3ccc(F)cc3)c2c1)-c1ccccc1Cl |r,wU:1.0,wD:1.8,(-4.57,.68,;-4.17,-.81,;-4.33,-2.34,;-5.84,-2.66,;-6.61,-1.33,;-7.94,-.56,;-7.94,-2.1,;-5.58,-.18,;-2.84,-.04,;-1.51,-.81,;-1.11,-2.3,;-.17,-.04,;-.17,1.5,;1.16,2.27,;2.49,1.5,;3.96,1.98,;4.86,.73,;6.4,.73,;7.94,.73,;3.96,-.51,;4.44,-1.98,;3.4,-3.12,;3.88,-4.59,;5.39,-4.91,;5.86,-6.37,;6.42,-3.76,;5.94,-2.3,;2.49,-.04,;1.16,-.81,;4.44,3.44,;3.4,4.59,;3.88,6.05,;5.39,6.37,;6.42,5.23,;5.94,3.76,;6.97,2.62,)|
Structure:
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