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Ligand

NameCHEMBL2036325
Molecular formulaC27H24ClN3O4S3
IUPAC name2-[2-[(2R)-2-[(E,3S)-4-[3-(5-chloro-1,3-benzothiazol-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight586.136
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50385134
SCHEMBL14270370
Inchi KeyCOBKGDMIGLRUQR-CNIPWFDFSA-N
Inchi IDInChI=1S/C27H24ClN3O4S3/c28-18-4-8-23-21(14-18)29-25(38-23)17-3-1-2-16(12-17)13-20(32)7-5-19-6-9-24(33)31(19)10-11-36-27-30-22(15-37-27)26(34)35/h1-5,7-8,12,14-15,19-20,32H,6,9-11,13H2,(H,34,35)/b7-5+/t19-,20+/m0/s1
PubChem CID10348321
ChEMBLCHEMBL2036325
IUPHARN/A
BindingDB50385134
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46522Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
46520Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
46524Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
46523Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
46521Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
46525Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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