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Ligand

NameCHEMBL2048627
Molecular formulaC30H34FNO6S
IUPAC name3-[2-fluoro-4-[[3-[4-[(4-hydroxy-1,1-dioxothian-4-yl)methoxy]-2,6-dimethylphenyl]phenyl]methylamino]phenyl]propanoic acid
Molecular weight555.661
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.6
SynonymsSCHEMBL3625977
AFHOJMBCVQFAGV-UHFFFAOYSA-N
BDBM50386650
3-{2-fluoro-4-[({4'-[(4-hydroxy-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy]-2',6'-dimethylbiphenyl-3-yl}methyl)amino]phenyl}propanoic acid
Inchi KeyAFHOJMBCVQFAGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34FNO6S/c1-20-14-26(38-19-30(35)10-12-39(36,37)13-11-30)15-21(2)29(20)24-5-3-4-22(16-24)18-32-25-8-6-23(27(31)17-25)7-9-28(33)34/h3-6,8,14-17,32,35H,7,9-13,18-19H2,1-2H3,(H,33,34)
PubChem CID12002201
ChEMBLCHEMBL2048627
IUPHARN/A
BindingDB50386650
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4159Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300
4160Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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