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Ligand

NameCHEMBL116448
Molecular formulaC18H27BrN2O2S
IUPAC name1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
Molecular weight415.39
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL4298542
BDBM85610
(2R)-1-(3-Bromophenylsulfonyl)-2-[2-(4-methylpiperidino)ethyl]pyrrolidine
(R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine
Inchi KeyJBIWUVRCMUOUNK-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
PubChem CID10573876
ChEMBLCHEMBL116448
IUPHARN/A
BindingDB85610
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: 13
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1467305-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1467325-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1467265-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1467375-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1467365-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
1467315-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1467295-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1467355-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1467285-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
1467345-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1467335-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
146738D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
146727D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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