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Ligand

NameSPIPETHIANE
Molecular formulaC20H23NS
IUPAC name1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine]
Molecular weight309.471
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.7
Synonyms1-benzylspiro[hexahydropyridine-4,2''-(3'',4''-dihydro-2''H-thiochromene)]
BDBM50064172
CHEMBL39900
SCHEMBL16208831
Inchi KeyFPSFVONLLBIZFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2
PubChem CID10380647
ChEMBLCHEMBL39900
IUPHARN/A
BindingDB50064172
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
84313Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
84314Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
84315D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
84311Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
84312Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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