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Ligand

NameCHEMBL3806076
Molecular formulaC19H20FNO5S
IUPAC name2-[(2R,4aR,5S,6R,7aS)-5-[(3-fluorophenoxy)methyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylic acid
Molecular weight393.429
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50169608
Inchi KeyAJZQZFOHXNFIOP-HSMRXVHUSA-N
Inchi IDInChI=1S/C19H20FNO5S/c20-10-2-1-3-11(6-10)25-8-13-12-4-5-16(26-17(12)7-15(13)22)18-21-14(9-27-18)19(23)24/h1-3,6,9,12-13,15-17,22H,4-5,7-8H2,(H,23,24)/t12-,13-,15-,16-,17+/m1/s1
PubChem CID127050450
ChEMBLCHEMBL3806076
IUPHARN/A
BindingDB50169608
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
521661Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358

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