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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 CASP14

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Ligand

NameSCHEMBL8097715
Molecular formulaC25H27NO5
IUPAC name2-(2,6-dimethoxyphenoxy)-N-[(3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]ethanamine
Molecular weight421.493
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM81444
CAS_185453
NSC_185453
L001148
Inchi KeyUVEKKXRFQCNLQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3
PubChem CID14743454
ChEMBLN/A
IUPHARN/A
BindingDB81444
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: 23
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
3464595-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3464585-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3464725-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
5569005-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
346453Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
346457Alpha-1A adrenergic receptorQ9WU25ADRA1ACavia porcellus (Guinea pig)466
346469Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
556898Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
346471Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
346473Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
346456Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
346463Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
346468Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
346474Alpha-2A adrenergic receptorP18871ADRA2ASus scrofa (Pig)450
346455Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
346460Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
346464Alpha-2B adrenergic receptorO77715ADRA2BDidelphis virginiana (North American opossum)382
346467Alpha-2B adrenergic receptorO77830ADRA2BOryctolagus cuniculus (Rabbit)394
346454Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
346462Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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