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Ligand

NameCHEMBL369938
Molecular formulaC31H38N4O4
IUPAC namebenzyl N-[3-[[(1S,15R,18S,19R)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carbonyl]amino]propyl]carbamate
Molecular weight530.669
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.9
Synonyms{3-[((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-carbonyl)-amino]-propyl}-carbamic acid benzyl ester
BDBM50167578
Inchi KeyCDNZAOVICDKJNC-ZXLWIGOHSA-N
Inchi IDInChI=1S/C31H38N4O4/c36-27-12-11-21-18-35-16-13-23-22-9-4-5-10-25(22)34-29(23)26(35)17-24(21)28(27)30(37)32-14-6-15-33-31(38)39-19-20-7-2-1-3-8-20/h1-5,7-10,21,24,26-28,34,36H,6,11-19H2,(H,32,37)(H,33,38)/t21-,24?,26-,27-,28+/m0/s1
PubChem CID44402346
ChEMBLCHEMBL369938
IUPHARN/A
BindingDB50167578
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39462Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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