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Ligand

NameCHEMBL196400
Molecular formulaC21H26N2O3
IUPAC namemethyl (1S,15R,18S,19R)-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
SynonymsBDBM50167576
(1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'',3'':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester
Inchi KeyBLGXFZZNTVWLAY-YGRBPWIASA-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+/m0/s1
PubChem CID44402476
ChEMBLN/A
IUPHARN/A
BindingDB50167576
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26653Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
459448Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
26654Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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