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Ligand

NameCHEMBL2037291
Molecular formulaC29H29N3O5S2
IUPAC name2-[2-[(2R)-2-[(E,3S)-4-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight563.687
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50385138
SCHEMBL14270369
Inchi KeyBBHKUNBVRUJLON-KLJHTQCXSA-N
Inchi IDInChI=1S/C29H29N3O5S2/c1-17-12-18(2)26-23(13-17)30-27(37-26)20-5-3-4-19(14-20)15-22(33)8-6-21-7-9-25(34)32(21)10-11-38-29-31-24(16-39-29)28(35)36/h3-6,8,12-14,16,21-22,33H,7,9-11,15H2,1-2H3,(H,35,36)/b8-6+/t21-,22+/m0/s1
PubChem CID10076580
ChEMBLCHEMBL2037291
IUPHARN/A
BindingDB50385138
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
19499Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
19496Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
19498Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
19495Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
19497Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
19500Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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