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Ligand

NameCHEMBL564914
Molecular formulaC16H15N3O2S
IUPAC name3-[benzyl(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid
Molecular weight313.375
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50414492
SCHEMBL4648872
Inchi KeyJTKZTOCSVOLUPY-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15N3O2S/c20-16(21)14-8-15(18-17-14)19(10-13-6-7-22-11-13)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,17,18)(H,20,21)
PubChem CID11961288
ChEMBLCHEMBL564914
IUPHARN/A
BindingDB50414492
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
159538Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363
159537Hydroxycarboxylic acid receptor 3P49019HCAR3Homo sapiens (Human)387

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