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Ligand

NameCHEMBL173299
Molecular formulaC22H34O5S
IUPAC name7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-hydroxy-4-phenylsulfanylbutyl)cyclopentyl]heptanoic acid
Molecular weight410.569
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.8
Synonyms7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenylsulfanyl-butyl)-cyclopentyl]-heptanoic acid
9alpha,11alpha,15-Trihydroxy-17-phenyl-18,19,20-trinor-17-thiaprostane-1-oic acid
BDBM50085916
Inchi KeyCHDOVUGJRCWTAC-HOPUUNBDSA-N
Inchi IDInChI=1S/C22H34O5S/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h3-5,8-9,16,18-21,23-25H,1-2,6-7,10-15H2,(H,26,27)/t16?,18-,19-,20+,21-/m1/s1
PubChem CID10251023
ChEMBLCHEMBL173299
IUPHARN/A
BindingDB50085916
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41882Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
41880Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
41884Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
41881Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
41885Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
41886Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
41883Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
41887Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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