Reaction Details
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Target
Thymidylate synthase
Ligand
BDBM50012026
Substrate
n/a
Meas. Tech.
ChEBML_209797
IC50
420±n/a nM
Citation
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More Info.:
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mus musculus
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
Inhibitor
Name:
BDBM50012026
Synonyms:
2-({5-[(2-Hydroxy-ethyl)-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-thiazole-2-carbonyl}-amino)-pentanedioic acid | CHEMBL41225
Type:
Small organic molecule
Emp. Form.:
C21H23N5O7S
Mol. Mass.:
489.502
SMILES:
Cc1nc2ccc(CN(CCO)c3cnc(s3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1