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Ligand

NameCHEMBL2036324
Molecular formulaC27H25N3O4S3
IUPAC name2-[2-[(2R)-2-[(E,3S)-4-[3-(1,3-benzothiazol-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight551.694
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50385133
SCHEMBL10210684
Inchi KeyLHSFFQORRGHKSR-BJIJGURPSA-N
Inchi IDInChI=1S/C27H25N3O4S3/c31-20(15-17-4-3-5-18(14-17)25-28-21-6-1-2-7-23(21)37-25)10-8-19-9-11-24(32)30(19)12-13-35-27-29-22(16-36-27)26(33)34/h1-8,10,14,16,19-20,31H,9,11-13,15H2,(H,33,34)/b10-8+/t19-,20+/m0/s1
PubChem CID57894053
ChEMBLCHEMBL2036324
IUPHARN/A
BindingDB50385133
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
187796Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
187793Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
187794Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
187791Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
187792Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
187795Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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