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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

NameSkf 104856
Molecular formulaC14H14ClNS
IUPAC name7-chloro-2-ethenyl-11-methyl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
Molecular weight263.783
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.2
SynonymsPDSP1_000857
SKF-104856
7-Chloro-2-ethenyl-3,4,5,6-tetrahydro-4-methylthieno(4,3,2-ef)(3)benzazepine
SCHEMBL9376352
136427-58-2
[ Show all ]
Inchi KeyWKXSXFYQPCWZOS-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
PubChem CID126225
ChEMBLCHEMBL25467
IUPHARN/A
BindingDB50030614
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
375892Alpha-1A adrenergic receptorQ9WU25ADRA1ACavia porcellus (Guinea pig)466
375894Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
375895Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
375896Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
375891Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
375897Alpha-2A adrenergic receptorP18871ADRA2ASus scrofa (Pig)450
375893Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
375898Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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