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Ligand

NameCHEMBL82468
Molecular formulaC22H31NO4
IUPAC name(E)-7-[(1R,2R,3S,5S)-2-[[2-(furan-3-yl)acetyl]amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight373.493
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50128736
7-[2-(2-Furan-3-yl-acetylamino)-6,6-dimethyl-bicyclo[3.1.1]hept-3-yl]-hept-5-enoic acid
Inchi KeyBLQALASUVZIUBI-JBZQRQEZSA-N
Inchi IDInChI=1S/C22H31NO4/c1-22(2)17-12-16(7-5-3-4-6-8-20(25)26)21(18(22)13-17)23-19(24)11-15-9-10-27-14-15/h3,5,9-10,14,16-18,21H,4,6-8,11-13H2,1-2H3,(H,23,24)(H,25,26)/b5-3+/t16-,17-,18-,21+/m0/s1
PubChem CID44460923
ChEMBLCHEMBL82468
IUPHARN/A
BindingDB50128736
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
26883Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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