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Ligand

NameMLS000054921
Molecular formulaC14H15NO3
IUPAC name1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
Molecular weight245.278
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.3
SynonymsAC1M2APX
SMR000066842
1-[2-(2,5-dimethylphenyl)-2-keto-ethyl]pyrrolidine-2,5-quinone
HMS2300C04
AKOS005943386
[ Show all ]
Inchi KeyABRXQVRQIGDIBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15NO3/c1-9-3-4-10(2)11(7-9)12(16)8-15-13(17)5-6-14(15)18/h3-4,7H,5-6,8H2,1-2H3
PubChem CID2113808
ChEMBLCHEMBL1469819
IUPHARN/A
BindingDB37394
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1114Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
1113Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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