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Ligand

NameCHEMBL3794585
Molecular formulaC20H22ClNO6S
IUPAC name2-[(2R,4aR,5S,6R,7aS)-5-[(4-chloro-3-methoxyphenoxy)methyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylic acid
Molecular weight439.907
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50156536
Inchi KeyBVZWHZAYDDHJBI-NKMGPIEYSA-N
Inchi IDInChI=1S/C20H22ClNO6S/c1-26-18-6-10(2-4-13(18)21)27-8-12-11-3-5-16(28-17(11)7-15(12)23)19-22-14(9-29-19)20(24)25/h2,4,6,9,11-12,15-17,23H,3,5,7-8H2,1H3,(H,24,25)/t11-,12-,15-,16-,17+/m1/s1
PubChem CID127026953
ChEMBLCHEMBL3794585
IUPHARN/A
BindingDB50156536
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
522567Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358

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