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Ligand

NameCHEMBL3299114
Molecular formulaC17H17NO5
IUPAC name2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]cyclohexene-1-carboxylic acid
Molecular weight315.325
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50022072
Inchi KeyNIINWNKEWRQTAV-SOFGYWHQSA-N
Inchi IDInChI=1S/C17H17NO5/c19-16(18-13-4-2-1-3-12(13)17(20)21)8-6-11-5-7-14-15(9-11)23-10-22-14/h5-9H,1-4,10H2,(H,18,19)(H,20,21)/b8-6+
PubChem CID90645410
ChEMBLCHEMBL3299114
IUPHARN/A
BindingDB50022072
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
224051Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363
224052Hydroxycarboxylic acid receptor 3P49019HCAR3Homo sapiens (Human)387

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