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Ligand

NameTocris-0591
Molecular formulaC38H42N4O6
IUPAC name(4R,4aS,7E,7aS,12bS)-7-[(Z)-[(4S,4aR,7aR,12bR)-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
SynonymsCHEMBL1371628
NCGC00024670-01
Lopac-N-176
NCGC00015721-01
Inchi KeyAJPSBXJNFJCCBI-PZQVLSSCSA-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+/m0/s1
PubChem CID9604974
ChEMBLCHEMBL1371628
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7107Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
7106Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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