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Ligand

NameRauwolscine
Molecular formulaC21H26N2O3
IUPAC namemethyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight354.45
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsSPBio_000919
SR-01000075289-6
yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha,20alpha)-
AB00514662
BRD-K77474816-003-05-9
[ Show all ]
Inchi KeyBLGXFZZNTVWLAY-DIRVCLHFSA-N
Inchi IDInChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1
PubChem CID643606
ChEMBLCHEMBL10347
IUPHAR136, 223
BindingDB50026636
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: 20
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
265605-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5533955-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5533935-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5533945-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5533915-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5533925-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
26551Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
26545Alpha-1A adrenergic receptorO02824ADRA1AOryctolagus cuniculus (Rabbit)466
26553Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
26559Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
26561Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
26557Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
26548Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
26555Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
26549Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
26552Alpha-2A adrenergic receptorQ60474ADRA2ACavia porcellus (Guinea pig)450
26558Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
26546Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
26543Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
26556Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458

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