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Ligand

NameCHEMBL3287823
Molecular formulaC18H22N2OS
IUPAC nameN-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]pyridin-2-amine
Molecular weight314.447
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50019972
Inchi KeySUHZGHAGDXLXKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N2OS/c1-21-17-10-9-15(20-18-8-4-5-11-19-18)12-14(17)13-22-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,19,20)
PubChem CID90644563
ChEMBLCHEMBL3287823
IUPHARN/A
BindingDB50019972
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
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GLASS IDNameUniProtGeneSpeciesLength
323468Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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