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Ligand

NameCHEMBL556333
Molecular formulaC22H29NO4S
IUPAC name3-[3-[[(4-tert-butylphenyl)methyl-methylsulfonylamino]methyl]phenyl]propanoic acid
Molecular weight403.537
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
Synonyms3-(3-((N-(4-tert-butylbenzyl)methylsulfonamido)methyl)phenyl)propanoic acid
BDBM50293491
Inchi KeyQQZAPBSSIZZJJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29NO4S/c1-22(2,3)20-11-8-18(9-12-20)15-23(28(4,26)27)16-19-7-5-6-17(14-19)10-13-21(24)25/h5-9,11-12,14H,10,13,15-16H2,1-4H3,(H,24,25)
PubChem CID45271238
ChEMBLCHEMBL556333
IUPHARN/A
BindingDB50293491
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
284888Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
284887Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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