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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameBDBM50359423
Molecular formulaC20H24N4O2
IUPAC name1-hydroxy-2-[4-(quinolin-2-ylmethylamino)butyl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
Molecular weight352.438
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.8
SynonymsN/A
Inchi KeyDSMQQQLBFHYIQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N4O2/c25-19-18-8-5-13-23(18)20(26)24(19)12-4-3-11-21-14-16-10-9-15-6-1-2-7-17(15)22-16/h1-2,6-7,9-10,21,25H,3-5,8,11-14H2
PubChem CID91143227
ChEMBLN/A
IUPHARN/A
BindingDB50359423
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
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GLASS IDNameUniProtGeneSpeciesLength
677715-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
677725-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
677745-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406
677735-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
67770D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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