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Ligand

NameCHEMBL233708
Molecular formulaC16H26N2O4
IUPAC name[(2S)-3,3-dimethylbutan-2-yl] 5-(2-methoxyethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
Molecular weight310.394
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50423045
Inchi KeyBDFFYNNARNJZMD-NSHDSACASA-N
Inchi IDInChI=1S/C16H26N2O4/c1-10-12(15(20)22-11(2)16(3,4)5)9-18-13(10)14(19)17-7-8-21-6/h9,11,18H,7-8H2,1-6H3,(H,17,19)/t11-/m0/s1
PubChem CID44430063
ChEMBLCHEMBL233708
IUPHARN/A
BindingDB50423045
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
20878Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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