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Ligand

NameCHEMBL1790547
Molecular formulaC40H48N8O6
IUPAC name(1R,8S,11R,17S,20R,23S)-11,20-dibenzyl-23-[(2R)-butan-2-yl]-10-methyl-3,4,10,13,19,22,25,26-octazatetracyclo[23.4.0.03,8.013,17]nonacosa-4,6,26-triene-2,9,12,18,21,24-hexone
Molecular weight736.874
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50368136
Inchi KeyADDAICAYUGEWHC-FMLBVUFZSA-N
Inchi IDInChI=1S/C40H48N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-11,14-18,21-22,26,29-34H,4,12-13,19-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1
PubChem CID56672379
ChEMBLCHEMBL1790547
IUPHARN/A
BindingDB50368136
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2143Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
2142Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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