| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM18765 |
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| Substrate/Competitor | BDBM18754 |
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| Meas. Tech. | Thymidylate Synthase (TS) Assay |
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| Ki | 3300±n/a nM |
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| Citation |  Costi, MP; Gelain, A; Barlocco, D; Ghelli, S; Soragni, F; Reniero, F; Rossi, T; Ruberto, A; Guillou, C; Cavazzuti, A; Casolari, C; Ferrari, S Antibacterial agent discovery using thymidylate synthase biolibrary screening. J Med Chem49:5958-68 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Thymidylate synthase |
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| Name: | Thymidylate synthase |
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| Synonyms: | TMP1 | TSase | TYSY_CRYNB | Thymidylate Synthase (TS) |
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| Type: | Enzyme |
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| Mol. Mass.: | 35863.57 |
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| Organism: | Cryptococcus neoformans |
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| Description: | n/a |
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| Residue: | 317 |
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| Sequence: | MTATIDDQEKNQRSNPDHEEYQYLDLIRRIINVGEVRPDRTGTGTVALFAPPSFRFSLAD
NTLPLLTTKRVFLRGVIAELLWFVSGCTDAKMLSSQGVGIWDGNGSKEFLEKVGLGHRRE
GDLGPVYGFQWRHFGAEYTDADGDYKGKGVDQLQRVIDTIKNNPTDRRIILSAWNPKDLP
LMALPPCHMFCQFFVSLPPADSPGSKPKLSCLMYQRSCDLGLGVPFNIASYALLTHMIAL
ITDTEPHEFILQMGDAHVYRDHVEPLKTQLEREPRDFPKLKWARSKEEIGDIDGFKVEDF
VVEGYKPWGKIDMKMSA
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| BDBM18765 |
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| BDBM18754 |
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| Name | BDBM18765 |
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| Synonyms: | 1,8-naphthalein derivative, 12 | 4,4-bis(3,5-dichloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one |
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| Type | Small organic molecule |
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| Emp. Form. | C24H12Cl4O4 |
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| Mol. Mass. | 506.162 |
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| SMILES | Oc1c(Cl)cc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1cc(Cl)c(O)c(Cl)c1 |
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| Structure | 
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