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TargetThymidylate synthase
LigandBDBM50004379
Substrate/Competitorn/a
Meas. Tech.ChEBML_209812
IC50 9000±n/a nM
Citation Warner, PBarker, AJJackman, ALBurrows, KDRoberts, NBishop, JAO'Connor, BMHughes, LR Quinoline antifolate thymidylate synthase inhibitors: variation of the C2- and C4-substituents. J Med Chem35:2761-8 (1992) [PubMed]  Article
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Thymidylate synthase
Name:Thymidylate synthase
Synonyms:TS | TSase
Type:PROTEIN
Mol. Mass.:34957.15
Organism:Mus musculus
Description:ChEMBL_1340097
Residue:307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYS
LRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSAR
QEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKD
LPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPG
DFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPT
IKMEMAV
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  Blast E-value cutoff:
BDBM50004379
NameBDBM50004379
Synonyms:2-{4-[(4-Chloro-2-methoxy-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate | CHEMBL328938
TypeSmall organic molecule
Emp. Form.C26H24ClN3O6
Mol. Mass.509.938
SMILESCOc1cc(Cl)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1
Structure
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n/a