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Ligand

NameN-CBM-TAMO
Molecular formulaC46H54N4O8S2
IUPAC nameN-[(4R,4aS,7aR,12bR)-3-(cyclobutylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-[[2-[[(4R,4aS,7aR,12bR)-3-(cyclobutylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]amino]-2-oxoethyl]disulfanyl]acetamide
Molecular weight855.078
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP4.7
SynonymsBDBM50287045
CHEMBL14680
Inchi KeyKDZXAOMQHWOCNV-NIRISHMOSA-N
Inchi IDInChI=1S/C46H54N4O8S2/c51-29-9-7-27-19-33-45(13-11-31(53)41-43(45,37(27)39(29)57-41)15-17-49(33)21-25-3-1-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-32(54)42-44(46)16-18-50(22-26-5-2-6-26)34(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,33-34,41-42,51-52H,1-6,11-24H2,(H,47,55)(H,48,56)/t33-,34-,41+,42+,43+,44+,45-,46-/m1/s1
PubChem CID10033525
ChEMBLCHEMBL14680
IUPHARN/A
BindingDB50287045
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
166844Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
166845Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
166843Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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