Reaction Details |
| Report a problem with these data |
Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
---|
Ligand | BDBM50252968 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_539764 (CHEMBL1034982) |
---|
IC50 | 36±n/a nM |
---|
Citation | Gangjee, A; Qiu, Y; Li, W; Kisliuk, RL Potent dual thymidylate synthase and dihydrofolate reductase inhibitors: classical and nonclassical 2-amino-4-oxo-5-arylthio-substituted-6-methylthieno[2,3-d]pyrimidine antifolates. J Med Chem51:5789-97 (2008) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Bifunctional dihydrofolate reductase-thymidylate synthase |
---|
Name: | Bifunctional dihydrofolate reductase-thymidylate synthase |
Synonyms: | DHFR-TS | DRTS_TOXGO | Dihydrofolate reductase | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; T. gondii vs rat |
Type: | Enzyme |
Mol. Mass.: | 68757.49 |
Organism: | Toxoplasma gondii |
Description: | Q07422 |
Residue: | 610 |
Sequence: | MQKPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKT
GDSGLPSPSVGKRFNAVVMGRKTWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEG
QQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPC
DVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNG
VPYDFVVLEKRRKTDDAATAEPSNAMSSLTSTRETTPVHGLQAPSSAAAIAPVLAWMDEE
DRKKREQKELIRAVPHVHFRGHEEFQYLDLIADIINNGRTMDDRTGVGVISKFGCTMRYS
LDQAFPLLTTKRVFWKGVLEELLWFIRGDTNANHLSEKGVKIWDKNVTREFLDSRNLPHR
EVGDIGPGYGFQWRHFGAAYKDMHTDYTGQGVDQLKNVIQMLRTNPTDRRMLMTAWNPAA
LDEMALPPCHLLCQFYVNDQKELSCIMYQRSCDVGLGVPFNIASYSLLTLMVAHVCNLKP
KEFIHFMGNTHVYTNHVEALKEQLRREPRPFPIVNILNKERIKEIDDFTAEDFEVVGYVP
HGRIQMEMAV
|
|
|
BDBM50252968 |
---|
n/a |
---|
Name | BDBM50252968 |
Synonyms: | CHEMBL522363 | N-{4-[(2-Amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]benzoyl}-L-glutamic acid |
Type | Small organic molecule |
Emp. Form. | C18H16N4O6S2 |
Mol. Mass. | 448.473 |
SMILES | Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N(CCC(O)=O)C(O)=O |
Structure |
|