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TargetBifunctional dihydrofolate reductase-thymidylate synthase
LigandBDBM50387410
Substrate/Competitorn/a
Meas. Tech.ChEMBL_828285 (CHEMBL2050304)
IC50>16000±n/a nM
Citation Gangjee, AZhao, YIhnat, MAThorpe, JEBailey-Downs, LCKisliuk, RL Novel tricyclic indeno[2,1-d]pyrimidines with dual antiangiogenic and cytotoxic activities as potent antitumor agents. Bioorg Med Chem20:4217-25 (2012) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50387410
n/a
NameBDBM50387410
Synonyms:CHEMBL2047247
TypeSmall organic molecule
Emp. Form.C17H13ClN4
Mol. Mass.308.765
SMILESNc1nc2cc3ccccc3c2c(Nc2ccc(Cl)cc2)[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: