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Ligand

NameCHEMBL2087421
Molecular formulaC24H40N4O5S
IUPAC name4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
Molecular weight496.667
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP1.6
SynonymsBDBM50420580
SCHEMBL3997134
Inchi KeyTYDKAHFZLFMNQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-12-10-27(11-13-28)21-6-8-25(3)9-7-21/h16-17,21H,6-15,18H2,1-5H3
PubChem CID11340940
ChEMBLCHEMBL2087421
IUPHARN/A
BindingDB50420580
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: 41
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
3302975-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3303195-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3302935-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
330316Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
330298Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
454814Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
330310Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
454815Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
330321Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
330300B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
330318B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
330309Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
330325Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461
330313Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
330290Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
330322Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444
330302D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
330308D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
330295Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
330324Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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