Reaction Details Report a problem with these data
Target
Free fatty acid receptor 2
Ligand
BDBM50546490
Substrate
n/a
Meas. Tech.
ChEMBL_2015864 (CHEMBL4669442)
EC50
1140±n/a nM
Citation
 Fells, JI; Ai, X; Weinglass, A; Feng, W; Lei, Y; Finley, M; Hoveyda, HR; Fraser, GL; Machacek, M Identification of free fatty acid receptor 2 agonists using virtual screening. Bioorg Med Chem Lett 30:127460 (2020) [PubMed]  Article 
Target
Name:
Free fatty acid receptor 2
Synonyms:
FFA2 | FFAR2 | FFAR2_HUMAN | G-protein coupled receptor 43 | GPCR43 | GPR43
Type:
PROTEIN
Mol. Mass.:
37156.44
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1508993
Residue:
330
Sequence:
MLPDWKSSLILMAYIIIFLTGLPANLLALRAFVGRIRQPQPAPVHILLLSLTLADLLLLLLLPFKIIEAASNFRWYLPKVVCALTSFGFYSSIYCSTWLLAGISIERYLGVAFPVQYKLSRRPLYGVIAALVAWVMSFGHCTIVIIVQYLNTTEQVRSGNEITCYENFTDNQLDVVLPVRLELCLVLFFIPMAVTIFCYWRFVWIMLSQPLVGAQRRRRAVGLAVVTLLNFLVCFGPYNVSHLVGYHQRKSPWWRSIAVVFSSLNASLDPLLFYFSSSVVRRAFGRGLQVLRNQGSSLLGRRGKDTAEGTNEDRGVGQGEGMPSSDFTTE
  
Inhibitor
Name:
BDBM50546490
Synonyms:
CHEMBL4785193
Type:
Small organic molecule
Emp. Form.:
C25H29ClN4O3
Mol. Mass.:
468.976
SMILES:
CC(Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CC[C@]2(CC1)NC(=N)N(Cc1ccccc1)C2=O |r,wU:17.21,14.14,(34.6,-5.44,;34.61,-6.99,;33.27,-7.76,;31.94,-6.99,;31.94,-5.45,;30.6,-4.69,;29.27,-5.46,;29.28,-7.01,;27.96,-7.79,;30.62,-7.77,;35.94,-7.76,;35.95,-9.3,;37.28,-6.98,;37.27,-5.44,;38.61,-7.75,;39.94,-6.97,;41.27,-7.75,;41.26,-9.29,;39.94,-10.05,;38.61,-9.29,;41.25,-10.83,;42.71,-11.31,;43.18,-12.78,;43.63,-10.07,;45.17,-10.06,;45.94,-11.39,;45.17,-12.73,;45.93,-14.06,;47.47,-14.06,;48.25,-12.72,;47.47,-11.38,;42.73,-8.82,;43.21,-7.36,)|
Structure:
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