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Ligand

NameCHEMBL2047155
Molecular formulaC30H32O7S
IUPAC name2-[(3S)-6-[[3-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular weight536.639
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
Synonyms[(3S)-6-({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
BDBM50386782
SCHEMBL205828
[(3S) -6-({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
AQQQCXSXMJJHOU-HSZRJFAPSA-N
Inchi KeyAQQQCXSXMJJHOU-HSZRJFAPSA-N
Inchi IDInChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m1/s1
PubChem CID57414405
ChEMBLCHEMBL2047155
IUPHARN/A
BindingDB50386782
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
12026Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
12027Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300

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