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Ligand

NameCHEMBL382310
Molecular formulaC20H24N2O3
IUPAC name(1S,15R,18S,19R)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
Molecular weight340.423
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP0.3
SynonymsBDBM50167581
(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
Inchi KeyAADVZSXPNRLYLV-YYCJRWKUSA-N
Inchi IDInChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14?,16-,17-,18+/m0/s1
PubChem CID44402344
ChEMBLCHEMBL382310
IUPHARN/A
BindingDB50167581
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
122Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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