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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

NameTERTATOLOL
Molecular formulaC16H25NO2S
IUPAC name1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol
Molecular weight295.441
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
Synonymsdl-Tertatolol
rac Tertatolol
83688-84-0
dl-Tertatalol
Racemic teraterol
[ Show all ]
Inchi KeyHTWFXPCUFWKXOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
PubChem CID36920
ChEMBLCHEMBL434200
IUPHAR571
BindingDB50280934
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1239815-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1239885-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1239845-hydroxytryptamine receptor 1BO08892HTR1BCavia porcellus (Guinea pig)389
1239865-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
5559685-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
553911Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400
553912Beta-3 adrenergic receptorP25962Adrb3Mus musculus (Mouse)400
553913Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
123989D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
123982D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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