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Ligand

NameMLS000703412
Molecular formulaC11H12N2O3S3
IUPAC name2-[(5Z)-5-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Molecular weight316.408
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.0
Synonyms2-[(5Z)-4-keto-5-[(2Z)-2-(3-methylthiazolidin-2-ylidene)ethylidene]-2-thioxo-thiazolidin-3-yl]acetic acid
3-Thiazolidineacetic acid, 5-(2-(3-methyl-2-thiazolidinylidene)ethylidene)-4-oxo-2-thioxo-
BAS 00670021
ZINC13118224
2-[(5Z)-5-[(2Z)-2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
[ Show all ]
Inchi KeyAMSAICQWZZDCEM-ZXCOBTLNSA-N
Inchi IDInChI=1S/C11H12N2O3S3/c1-12-4-5-18-8(12)3-2-7-10(16)13(6-9(14)15)11(17)19-7/h2-3H,4-6H2,1H3,(H,14,15)/b7-2-,8-3-
PubChem CID1734123
ChEMBLCHEMBL1313434
IUPHARN/A
BindingDBN/A
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
9190Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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