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Ligand

NameCHEMBL3580912
Molecular formulaC15H16N2O2
IUPAC name2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole
Molecular weight256.305
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50097050
J3.583.569E
3-(2-(5-Methyloxazole-2-yl)ethyl)-5-methoxy-1H-indole
Inchi KeyASCRDPDMLVIBCT-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H16N2O2/c1-10-8-17-15(19-10)6-3-11-9-16-14-5-4-12(18-2)7-13(11)14/h4-5,7-9,16H,3,6H2,1-2H3
PubChem CID86273470
ChEMBLCHEMBL3580912
IUPHARN/A
BindingDB50097050
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
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GLASS IDNameUniProtGeneSpeciesLength
464446Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
464445Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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