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Ligand

NameCHEMBL485196
Molecular formulaC21H22N2O5
IUPAC name2-[3-(7-hydroxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)propanoylamino]cyclohexene-1-carboxylic acid
Molecular weight382.416
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50277714
SCHEMBL4548323
2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-3-yl)propanamido)cyclohex-1-enecarboxylic acid
Inchi KeyCEEDKNHIBNHBQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O5/c24-13-6-8-14-12(11-13)5-7-15-18(23-28-20(14)15)9-10-19(25)22-17-4-2-1-3-16(17)21(26)27/h6,8,11,24H,1-5,7,9-10H2,(H,22,25)(H,26,27)
PubChem CID135416384
ChEMBLCHEMBL485196
IUPHARN/A
BindingDB50277714
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
558496Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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