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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

Name4-(3,4-Dihydro-1H-isoquinolin-2-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
Molecular formulaC20H18N4O
IUPAC name4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
Molecular weight330.391
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsAC1LIGWY
MLS000769793
CHEMBL1533104
MolPort-002-595-257
HMS2795K04
[ Show all ]
Inchi KeyAAOZUMUCPQPFAA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N4O/c1-25-15-6-7-17-16(10-15)18-19(23-17)20(22-12-21-18)24-9-8-13-4-2-3-5-14(13)11-24/h2-7,10,12,23H,8-9,11H2,1H3
PubChem CID931001
ChEMBLCHEMBL1533104
IUPHARN/A
BindingDBN/A
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
418Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
419Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
463007Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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