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Ligand

NameSMR000471067
Molecular formulaC31H29N3O4
IUPAC name(1S,2R,7S,8R)-2-benzyl-10-ethyl-4-(3-methylphenyl)-7-(4-methylphenyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
Molecular weight507.59
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsMLS001075037
CHEMBL1597133
MLS003231190
HMS2194N08
Inchi KeyACSYJSLKMGJKCX-YSRRZRNESA-N
Inchi IDInChI=1S/C31H29N3O4/c1-4-32-27(35)24-25(28(32)36)31(18-21-10-6-5-7-11-21)29(37)33(23-12-8-9-20(3)17-23)30(38)34(31)26(24)22-15-13-19(2)14-16-22/h5-17,24-26H,4,18H2,1-3H3/t24-,25-,26-,31-/m1/s1
PubChem CID24790405
ChEMBLCHEMBL1597133
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1886Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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