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Ligand

NameCHEMBL3793009
Molecular formulaC20H22ClNO6
IUPAC name2-[(2R,4aR,5S,6R,7aS)-5-[(4-chloro-3-methylphenoxy)methyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-oxazole-4-carboxylic acid
Molecular weight407.847
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50156530
Inchi KeyAGDRDTDMBKFWKW-BSPHMWTBSA-N
Inchi IDInChI=1S/C20H22ClNO6/c1-10-6-11(2-4-14(10)21)26-8-13-12-3-5-17(28-18(12)7-16(13)23)19-22-15(9-27-19)20(24)25/h2,4,6,9,12-13,16-18,23H,3,5,7-8H2,1H3,(H,24,25)/t12-,13-,16-,17-,18+/m1/s1
PubChem CID127029402
ChEMBLCHEMBL3793009
IUPHARN/A
BindingDB50156530
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
521596Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
521599Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
521598Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
521600Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
521601Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
521597Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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