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Ligand

Name17994-17-1
Molecular formulaC12H14N2O2
IUPAC name1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]ethanone
Molecular weight218.256
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP0.8
SynonymsCAS_260803
NSC_260803
AC1L63WS
Ethanone,1-[3-(2-aminoethyl)-5-hydroxy-1H-indol-1-yl]-
ZINC1598249
[ Show all ]
Inchi KeyAZRQSPSPOGVDRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3
PubChem CID260803
ChEMBLN/A
IUPHARN/A
BindingDB82271
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18432Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
18433Melatonin receptor type 1AP48040MTNR1AOvis aries (Sheep)366
18434Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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