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Ligand

NameMLS-0463045.0001
Molecular formulaC19H21N3O3
IUPAC name6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular weight339.395
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
Synonyms7-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid [1-pyridin-2-yl-meth-(Z)-ylidene]-hydrazide
cid_5928021
AC1NZ9D7
MolPort-000-708-958
6-tert-butyl-N-[(Z)-2-pyridylmethyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
[ Show all ]
Inchi KeyJDJGSIZJBSTISP-NHDPSOOVSA-N
Inchi IDInChI=1S/C19H21N3O3/c1-19(2,3)13-7-8-15-16(10-13)25-17(12-24-15)18(23)22-21-11-14-6-4-5-9-20-14/h4-11,17H,12H2,1-3H3,(H,22,23)/b21-11-
PubChem CID5928021
ChEMBLCHEMBL1904956
IUPHARN/A
BindingDB83208
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
148224Apelin receptorP35414APLNRHomo sapiens (Human)380
148222C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
148223C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
148221Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
481212Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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