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Ligand

NameCHEMBL309847
Molecular formulaC24H35NO4S
IUPAC name(Z)-7-[(1S,2R,3R,4R)-3-[(4-tert-butylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Molecular weight433.607
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50128726
(+) 7-[3-(4-tert-Butyl-benzenesulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid
Inchi KeyBXWKTNRURSAYJZ-CIYNECQDSA-N
Inchi IDInChI=1S/C24H35NO4S/c1-24(2,3)19-12-14-20(15-13-19)30(28,29)25-23-18-11-10-17(16-18)21(23)8-6-4-5-7-9-22(26)27/h4,6,12-15,17-18,21,23,25H,5,7-11,16H2,1-3H3,(H,26,27)/b6-4-/t17-,18+,21+,23+/m0/s1
PubChem CID11826199
ChEMBLCHEMBL309847
IUPHARN/A
BindingDB50128726
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
35535Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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