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Ligand

NameCHEMBL3914686
Molecular formulaC30H33NO4S
IUPAC name(3S)-3-[4-[[3-[[oxan-4-yl(thiophen-3-ylmethyl)amino]methyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
Molecular weight503.657
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50201694
Inchi KeyBAOQMYKUQLKZDR-MHZLTWQESA-N
Inchi IDInChI=1S/C30H33NO4S/c1-2-4-27(18-30(32)33)26-7-9-29(10-8-26)35-21-24-6-3-5-23(17-24)19-31(20-25-13-16-36-22-25)28-11-14-34-15-12-28/h3,5-10,13,16-17,22,27-28H,11-12,14-15,18-21H2,1H3,(H,32,33)/t27-/m0/s1
PubChem CID134142245
ChEMBLCHEMBL3914686
IUPHARN/A
BindingDB50201694
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
548109Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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