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Ligand

NameCHEMBL3805176
Molecular formulaC22H25NO5S
IUPAC name2-[(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(E)-4-phenoxybut-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylic acid
Molecular weight415.504
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50169548
SCHEMBL20183230
Inchi KeyGJEDKMXFVUIJBT-QEJOXDNVSA-N
Inchi IDInChI=1S/C22H25NO5S/c24-18-12-20-16(9-10-19(28-20)21-23-17(13-29-21)22(25)26)15(18)8-4-5-11-27-14-6-2-1-3-7-14/h1-4,6-8,13,15-16,18-20,24H,5,9-12H2,(H,25,26)/b8-4+/t15-,16-,18-,19-,20+/m1/s1
PubChem CID127052614
ChEMBLCHEMBL3805176
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
524394Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
524396Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
524395Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
524397Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
524392Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
524393Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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