Reaction Details Report a problem with these data
Target
Free fatty acid receptor 1
Ligand
BDBM375091
Substrate
n/a
Meas. Tech.
IPOne assay
EC50
519±n/a nM
Citation
 Eckhardt, M; Wagner, H; Peters, S Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof US Patent  US10253004 Publication Date 4/9/2019 
Target
Name:
Free fatty acid receptor 1
Synonyms:
FFAR1 | FFAR1_HUMAN | G-protein Coupled Receptor 40 | GPR40
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
31473.32
Organism:
Homo sapiens (Human)
Description:
O14842
Residue:
300
Sequence:
MDLPPQLSFGLYVAAFALGFPLNVLAIRGATAHARLRLTPSLVYALNLGCSDLLLTVSLPLKAVEALASGAWPLPASLCPVFAVAHFFPLYAGGGFLAALSAGRYLGAAFPLGYQAFRRPCYSWGVCAAIWALVLCHLGLVFGLEAPGGWLDHSNTSLGINTPVNGSPVCLEAWDPASAGPARFSLSLLLFFLPLAITAFCYVGCLRALARSGLTHRRKLRAAWVAGGALLTLLLCVGPYNASNVASFLYPNLGGSWRKLGLITGAWSVVLNPLVTGYLGRGPGLKTVCAARTQGGKSQK
  
Inhibitor
Name:
BDBM375091
Synonyms:
(1R,2R)-2-(5-{(R)-7-Fluoro-4-[4-(3-methanesulfonyl-propoxy)-2,6-dimethyl-phenyl]-indan-1-ylamino}-pyrazin-2-yl)-cyclopropanecarboxylic acid | US10253004, Example 5
Type:
Small organic molecule
Emp. Form.:
C29H32FN3O5S
Mol. Mass.:
553.645
SMILES:
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@@H]1C[C@H]1C(O)=O |r,wU:35.40,22.28,wD:33.36,(-1.01,.79,;-2.51,.47,;-3.54,1.61,;-5.05,1.29,;-6.08,2.44,;-7.59,2.12,;-8.62,3.26,;-10.12,2.94,;-11.15,4.09,;-12.64,3.69,;-11.15,2.55,;-10.75,5.57,;-5.52,-.17,;-4.49,-1.32,;-4.97,-2.78,;-2.99,-1,;-1.96,-2.14,;-2.43,-3.6,;-1.4,-4.75,;.1,-4.43,;1.13,-5.57,;.58,-2.96,;1.99,-2.34,;1.83,-.81,;.32,-.49,;-.45,-1.82,;3.3,-3.11,;4.64,-2.34,;4.64,-.8,;5.97,-.03,;7.31,-.8,;7.31,-2.34,;5.97,-3.11,;8.64,-.03,;9.97,.74,;9.97,-.8,;11.31,-.03,;12.64,-.8,;11.31,1.51,)|
Structure:
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