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Ligand

NameAC1MHXH5
Molecular formulaC40H43N3O6
IUPAC name36,39-dicyclopropyl-20,26-dioxa-1,10,23-triazaundecacyclo[29.4.2.210,15.03,33.05,24.06,22.08,13.013,21.014,19.025,33.027,32]nonatriaconta-5(24),6(22),14,16,18,27,29,31-octaene-3,8,18,28-tetrol
Molecular weight661.799
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.2
SynonymsSCHEMBL1830200
BDBM81935
NSC_3034416
L000446
Inchi KeyGYEXSFKLGQBRBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2
PubChem CID3034416
ChEMBLN/A
IUPHARN/A
BindingDB81935
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
108211Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
108210Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
108212Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
108213Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
108209Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
108214Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328
555888Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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