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Ligand

NameCHEMBL554019
Molecular formulaC50H68N6O4
IUPAC name(1S,15R,18S,19R,20S)-18-hydroxy-N-[10-[[(1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carbonyl]amino]decyl]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxamide
Molecular weight817.132
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP8.0
SynonymsCHEMBL1195197
BDBM50087151
N,N'-Decamethylenebis(17alpha-hydroxyyohimban-16alpha-carboxamide)
1N-{10-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3,2-a]b-carbolin-1-ylcarboxamido]decyl}-2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3, ;dihydrochloride
Inchi KeyATDRGNLOJPZRDO-PMRKYLCGSA-N
Inchi IDInChI=1S/C50H68N6O4/c57-43-19-17-31-29-55-25-21-35-33-13-7-9-15-39(33)53-47(35)41(55)27-37(31)45(43)49(59)51-23-11-5-3-1-2-4-6-12-24-52-50(60)46-38-28-42-48-36(34-14-8-10-16-40(34)54-48)22-26-56(42)30-32(38)18-20-44(46)58/h7-10,13-16,31-32,37-38,41-46,53-54,57-58H,1-6,11-12,17-30H2,(H,51,59)(H,52,60)/t31-,32-,37-,38-,41-,42-,43-,44-,45+,46+/m0/s1
PubChem CID10056237
ChEMBLN/A
IUPHARN/A
BindingDB50087151
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13848Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
13847Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450

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