| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50023902 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_209806 (CHEMBL815672) |
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| IC50 | 10000±n/a nM |
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| Citation |  Nair, MG; Dhawan, R; Ghazala, M; Kalman, TI; Ferone, R; Gaumont, Y; Kisliuk, RL Folate analogues. 30. Synthesis and biological evaluation of N10-propargyl-5,8-dideaza-5,6,7,8-tetrahydrofolic acid and related compounds. J Med Chem30:1256-61 (1987) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Thymidylate synthase |
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| Name: | Thymidylate synthase |
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| Synonyms: | TS | TSase | TYSY_MOUSE | Tyms |
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| Type: | PROTEIN |
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| Mol. Mass.: | 34957.15 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_1340097 |
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| Residue: | 307 |
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| Sequence: | MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYS
LRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSAR
QEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKD
LPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPG
DFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPT
IKMEMAV
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| BDBM50023902 |
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| n/a |
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| Name | BDBM50023902 |
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| Synonyms: | 2-{4-[(2-Amino-4-oxo-1,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid (DDF) | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL22973 | TCMDC-132046 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H21N5O6 |
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| Mol. Mass. | 439.4213 |
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| SMILES | Nc1nc2ccc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |
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| Structure | 
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