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Ligand

NameNaloxonazine
Molecular formulaC38H42N4O6
IUPAC name(4R,4aS,7E,7aR,12bS)-7-[(E)-[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular weight650.776
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP4.0
SynonymsHMS2090F22
NSC-612113
BDBM50135225
(1S,5R,13R,14Z,17S)-14-{2-[(1S,5R,13R,14Z,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-ylidene]hydrazin-1-ylidene}-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{
D0G1IF
[ Show all ]
Inchi KeyAJPSBXJNFJCCBI-YOHUGVJRSA-N
Inchi IDInChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1
PubChem CID9576413
ChEMBLCHEMBL1618305
IUPHARN/A
BindingDB50135225
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
7111Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
7112Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
7113Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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