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Ligand

NameCHEMBL297605
Molecular formulaC40H46N4O8S2
IUPAC nameN-[(4aS,7aR,12bR)-9-hydroxy-3,7a-dimethyl-7-oxo-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-[[2-[[(4aS,7aR,12bR)-9-hydroxy-3,7a-dimethyl-7-oxo-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]amino]-2-oxoethyl]disulfanyl]acetamide
Molecular weight774.948
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP2.5
SynonymsBDBM50284914
MET-TAMO and N-CPM-MET-TAMO analogue
Inchi KeySHVLHVKHJFEEHO-LIKQZKCKSA-N
Inchi IDInChI=1S/C40H46N4O8S2/c1-35-27(47)9-11-39(25-17-21-5-7-23(45)33(51-35)31(21)37(35,39)13-15-43(25)3)41-29(49)19-53-54-20-30(50)42-40-12-10-28(48)36(2)38(40)14-16-44(4)26(40)18-22-6-8-24(46)34(52-36)32(22)38/h5-8,25-26,45-46H,9-20H2,1-4H3,(H,41,49)(H,42,50)/t25?,26?,35-,36-,37-,38-,39+,40+/m0/s1
PubChem CID44292200
ChEMBLCHEMBL297605
IUPHARN/A
BindingDB50284914
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
314684Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
314683Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
314682Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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