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Ligand

NameCHEMBL81649
Molecular formulaC21H27N3O3S
IUPAC name4-[4-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
Molecular weight401.525
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.2
SynonymsSCHEMBL7397229
WNUQCGWXPNGORO-OAQYLSRUSA-N
ZINC5162669
BDBM50051563
B7607
[ Show all ]
Inchi KeyWNUQCGWXPNGORO-OAQYLSRUSA-N
Inchi IDInChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
PubChem CID10811059
ChEMBLCHEMBL81649
IUPHARN/A
BindingDB50051563
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3779305-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5570565-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3779285-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
377931Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
377924Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
377929D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
377932D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
377925D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
377927D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
557057D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
377926Histamine H1 receptorP30546HRH1Bos taurus (Bovine)491

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