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Ligand

NameCHEMBL3667557
Molecular formulaC18H19ClN2O3S2
IUPAC name(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
Molecular weight410.931
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsZINC25418790
BDBM154930
US9000029, 9
Inchi KeyAANHDAUXXNPJHE-KRWDZBQOSA-N
Inchi IDInChI=1S/C18H19ClN2O3S2/c1-25-15-5-2-4-14(12-15)20-18(22)17-6-3-11-21(17)26(23,24)16-9-7-13(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)/t17-/m0/s1
PubChem CID32728568
ChEMBLCHEMBL3667557
IUPHARN/A
BindingDB154930
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
356Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
355Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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