| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
|---|
| Ligand | BDBM18494 |
|---|
| Substrate/Competitor | BDBM18044 |
|---|
| Meas. Tech. | Determination of IC50 |
|---|
| pH | 7±n/a |
|---|
| Temperature | 298.15±n/a K |
|---|
| IC50 | 9100±2400 nM |
|---|
| Citation |  Pelphrey, PM; Popov, VM; Joska, TM; Beierlein, JM; Bolstad, ES; Fillingham, YA; Wright, DL; Anderson, AC Highly efficient ligands for dihydrofolate reductase from Cryptosporidium hominis and Toxoplasma gondii inspired by structural analysis. J Med Chem50:940-50 (2007) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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
|
|
|
|---|
| BDBM18494 |
|---|
| BDBM18044 |
|---|
| Name | BDBM18494 |
|---|
| Synonyms: | 3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol | JMC517532 Compound 9 | Propargyl-linked, 7 | Propargyl-substituted antifolate, 9 | TMP derivative with propargyl-based linker, 25 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C17H20N4O4 |
|---|
| Mol. Mass. | 344.3651 |
|---|
| SMILES | COc1cc(cc(OC)c1OC)C(O)C#Cc1c(C)nc(N)nc1N |
|---|
| Structure | 
|
|---|
Search and Browse
