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Ligand

NameCHEMBL556416
Molecular formulaC25H31N3O5S
IUPAC name2-[3-[[(4-tert-butylphenyl)methyl-[(1-methylimidazol-2-yl)methylsulfonyl]amino]methyl]phenoxy]acetic acid
Molecular weight485.599
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50293494
2-(3-((N-(4-tert-butylbenzyl)-1-(1-methyl-1H-imidazol-2-yl)methylsulfonamido)methyl)phenoxy)acetic acid
Inchi KeyTWMSTAGKFBLOEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O5S/c1-25(2,3)21-10-8-19(9-11-21)15-28(34(31,32)18-23-26-12-13-27(23)4)16-20-6-5-7-22(14-20)33-17-24(29)30/h5-14H,15-18H2,1-4H3,(H,29,30)
PubChem CID45266955
ChEMBLCHEMBL556416
IUPHARN/A
BindingDB50293494
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
329178Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
329179Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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