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Ligand

NameCHEMBL83485
Molecular formulaC26H31NO4S
IUPAC name(Z)-7-[(1S,2R,3R,4R)-3-[(2-phenylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Molecular weight453.597
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.2
Synonyms(+) 7-[3-(Biphenyl-2-sulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid
BDBM50128720
Inchi KeyBCLHVIXHPNNBKL-ZYPSWUJOSA-N
Inchi IDInChI=1S/C26H31NO4S/c28-25(29)15-7-2-1-6-13-23-20-16-17-21(18-20)26(23)27-32(30,31)24-14-9-8-12-22(24)19-10-4-3-5-11-19/h1,3-6,8-12,14,20-21,23,26-27H,2,7,13,15-18H2,(H,28,29)/b6-1-/t20-,21+,23+,26+/m0/s1
PubChem CID11102462
ChEMBLCHEMBL83485
IUPHARN/A
BindingDB50128720
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20290Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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