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Ligand

Name.delta.-Yohimbine
Molecular formulaC21H24N2O3
IUPAC namemethyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Molecular weight352.434
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.7
Synonymsmethyl 1-methyl-5,11,14,14a,4a,5a-hexahydro-1H-indolo[2,3-a]pyrano[3,4-g]quino lizine-4-carboxylate
NCI60_041515
Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.)-
SCHEMBL309915
Vincain
[ Show all ]
Inchi KeyGRTOGORTSDXSFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3
PubChem CID251561
ChEMBLN/A
IUPHARN/A
BindingDB30993
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1037455-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
103741Alpha-2A adrenergic receptorP18871ADRA2ASus scrofa (Pig)450
103742Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
103746Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
460152Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
103740Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
103743Alpha-2B adrenergic receptorO77830ADRA2BOryctolagus cuniculus (Rabbit)394
103744Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
103747Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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