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Ligand

NameCHEMBL2304424
Molecular formulaC46H54N4O8S2
IUPAC nameN-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7a-methyl-7-oxo-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-[[2-[[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7a-methyl-7-oxo-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]amino]-2-oxoethyl]disulfanyl]acetamide
Molecular weight855.078
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP4.0
SynonymsBDBM50421363
Inchi KeyDHHKGYXJJAWJDM-FIYJTVGMSA-N
Inchi IDInChI=1S/C46H54N4O8S2/c1-41-33(53)11-13-45(31-19-27-7-9-29(51)39(57-41)37(27)43(41,45)15-17-49(31)21-25-3-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-34(54)42(2)44(46)16-18-50(22-26-5-6-26)32(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,31-32,51-52H,3-6,11-24H2,1-2H3,(H,47,55)(H,48,56)/t31-,32-,41+,42+,43+,44+,45-,46-/m1/s1
PubChem CID71720326
ChEMBLCHEMBL2304424
IUPHARN/A
BindingDB50421363
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
60002Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
60003Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
60001Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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