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Ligand

NameSalvinorin A
Molecular formulaC23H28O8
IUPAC namemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular weight432.469
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.5
Synonyms(2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(3-furanyl)dodechydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester
2H-naphtho[2,1-c]pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-
API0006975
CHEMBL445332
HSDB 7640
[ Show all ]
Inchi KeyOBSYBRPAKCASQB-AGQYDFLVSA-N
Inchi IDInChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PubChem CID128563
ChEMBLCHEMBL445332
IUPHAR1666
BindingDB50159165
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
2372885-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2372915-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2372845-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2372875-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5563965-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2372945-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2372865-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
4612635-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
2372765-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5564045-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
556402Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
237293Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
237269Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
461264Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
237283D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
237290D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
556403D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
556399D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
237281D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
237275Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372

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