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Ligand

NameCHEMBL2088048
Molecular formulaC22H28ClNO2S
IUPAC name1'-[2-[(2-chlorophenyl)methyl]-3-methoxypropyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
Molecular weight405.981
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50420820
Inchi KeyBBYKXKUKIDZJQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28ClNO2S/c1-25-16-17(14-19-4-2-3-5-20(19)23)15-24-10-8-22(9-11-24)21-18(6-12-26-22)7-13-27-21/h2-5,7,13,17H,6,8-12,14-16H2,1H3
PubChem CID60154197
ChEMBLCHEMBL2088048
IUPHARN/A
BindingDB50420820
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
19958Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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