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Ligand

NameCHEMBL1790938
Molecular formulaC41H55N9O6
IUPAC name(1R,8S,11R,17S,20R,23S)-23-[(2R)-butan-2-yl]-11-(1H-imidazol-5-ylmethyl)-20-(1H-indol-3-ylmethyl)-10-methyl-3,10,13,19,22,25-hexazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
Molecular weight769.948
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.1
SynonymsBDBM50368438
Inchi KeyDYASWPQNHOGBMN-KOMPESINSA-N
Inchi IDInChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-33(50)39(54)49-17-9-7-14-32(49)38(53)47(3)34(21-27-23-42-24-44-27)40(55)48-19-11-16-31(48)37(52)45-30(36(51)46-35)20-26-22-43-29-13-6-5-12-28(26)29/h5-6,12-13,22-25,30-35,43H,4,7-11,14-21H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)/t25-,30-,31+,32+,33-,34-,35+/m1/s1
PubChem CID56671648
ChEMBLCHEMBL1790938
IUPHARN/A
BindingDB50368438
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
71834Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
71835Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
71833Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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