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Ligand

NameCHEMBL81751
Molecular formulaC23H33NO4S
IUPAC name(Z)-7-[(1S,2R,3R,4R)-3-[(2,4,6-trimethylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Molecular weight419.58
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50128718
(+) 7-[3-(2,4,6-Trimethyl-benzenesulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid
Inchi KeyBNOARKHAHGSVLH-RUJXCBFBSA-N
Inchi IDInChI=1S/C23H33NO4S/c1-15-12-16(2)23(17(3)13-15)29(27,28)24-22-19-11-10-18(14-19)20(22)8-6-4-5-7-9-21(25)26/h4,6,12-13,18-20,22,24H,5,7-11,14H2,1-3H3,(H,25,26)/b6-4-/t18-,19+,20+,22+/m0/s1
PubChem CID11811847
ChEMBLCHEMBL81751
IUPHARN/A
BindingDB50128718
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28280Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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