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Ligand

NameCHEMBL2021594
Molecular formulaC40H43N3O6
IUPAC name(1S,2S,7R,8R,12S,20S,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
Molecular weight661.799
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.2
SynonymsN/A
Inchi KeyAPSUXPSYBJVPPS-XFPGJURKSA-N
Inchi IDInChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28+,35+,36-,37+,38-,39-,40+
PubChem CID70681328
ChEMBLCHEMBL2021594
IUPHARN/A
BindingDBN/A
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
11317Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
11318Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
11316Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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