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Ligand

NameCHEMBL1957435
Molecular formulaC26H26N2O4S2
IUPAC name2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(3-phenylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight494.624
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50366136
SCHEMBL10210671
Inchi KeyTZZLWYONQVXDRN-JEUBMUGFSA-N
Inchi IDInChI=1S/C26H26N2O4S2/c29-22(16-18-5-4-8-20(15-18)19-6-2-1-3-7-19)11-9-21-10-12-24(30)28(21)13-14-33-26-27-23(17-34-26)25(31)32/h1-9,11,15,17,21-22,29H,10,12-14,16H2,(H,31,32)/b11-9+/t21-,22+/m0/s1
PubChem CID57394893
ChEMBLCHEMBL1957435
IUPHARN/A
BindingDB50366136
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
331612Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
331613Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
331616Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
331614Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
331615Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
331617Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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