Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50028109 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_209774 (CHEMBL815564) |
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Ki | 120000±n/a nM |
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Citation | Srinivasan, A; Amarnath, V; Broom, AD; Zou, FC; Cheng, YC A potent multisubstrate analogue inhibitor of human thymidylate synthetase. J Med Chem27:1710-7 (1985) [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 |
Synonyms: | TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase |
Type: | Enzyme |
Mol. Mass.: | 35718.07 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 313 |
Sequence: | MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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BDBM50028109 |
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n/a |
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Name | BDBM50028109 |
Synonyms: | 2-{4-[(2-Amino-5-{1-[4-hydroxy-5-(hydroxy-methoxy-phosphoryloxymethyl)-tetrahydro-furan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl}-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL3144213 | CID44292651 | thvmidvlate svnthase inhibitor 2c |
Type | Small organic molecule |
Emp. Form. | C31H39N8O14P |
Mol. Mass. | 778.6603 |
SMILES | COP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CN2C(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CCc3nc(N)[nH]c(=O)c23)c(=O)[nH]c1=O |r| |
Structure |
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