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Ligand

Nameaz599
Molecular formulaC25H35N3O4S
IUPAC name[5-ethylsulfonyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
Molecular weight473.632
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsSCHEMBL3310279
CHEMBL1950351
ZINC43206729
BDBM50364920
KB-270804
[ Show all ]
Inchi KeyUCMNIYFDRVBMFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3
PubChem CID24894028
ChEMBLCHEMBL1950351
IUPHARN/A
BindingDB50364920
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: 42
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
4549375-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3334895-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
333477Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
333499Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
333496Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
333508Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
333472Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
333504C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
333493C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
333491C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
333507C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
333485C-X-C chemokine receptor type 6O00574CXCR6Homo sapiens (Human)342
333492Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461
333469Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
333481Cannabinoid receptor 1P47746Cnr1Mus musculus (Mouse)473
333488Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
333506Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
333483Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444
333495CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355
333473D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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