Reaction Details
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Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50059944
Substrate
n/a
Meas. Tech.
ChEMBL_53461 (CHEMBL884350)
IC50
1.8±n/a nM
Citation
Robson, C; Meek, MA; Grunwaldt, JD; Lambert, PA; Queener, SF; Schmidt, D; Griffin, RJ Nonclassical 2,4-diamino-5-aryl-6-ethylpyrimidine antifolates: activity as inhibitors of dihydrofolate reductase from Pneumocystis carinii and Toxoplasma gondii and as antitumor agents. J Med Chem 40:3040-8 (1997) [PubMed] Article More Info.:
Target
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:
MQKPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKTGDSGLPSPSVGKRFNAVVMGRKTWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPCDVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNGVPYDFVVLEKRRKTDDAATAEPSNAMSSLTSTRETTPVHGLQAPSSAAAIAPVLAWMDEEDRKKREQKELIRAVPHVHFRGHEEFQYLDLIADIINNGRTMDDRTGVGVISKFGCTMRYSLDQAFPLLTTKRVFWKGVLEELLWFIRGDTNANHLSEKGVKIWDKNVTREFLDSRNLPHREVGDIGPGYGFQWRHFGAAYKDMHTDYTGQGVDQLKNVIQMLRTNPTDRRMLMTAWNPAALDEMALPPCHLLCQFYVNDQKELSCIMYQRSCDVGLGVPFNIASYSLLTLMVAHVCNLKPKEFIHFMGNTHVYTNHVEALKEQLRREPRPFPIVNILNKERIKEIDDFTAEDFEVVGYVPHGRIQMEMAV
Inhibitor
Name:
BDBM50059944
Synonyms:
4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenylamino]-methyl}-benzoic acid | CHEMBL103981
Type:
Small organic molecule
Emp. Form.:
C20H20N6O4
Mol. Mass.:
408.4106
SMILES:
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(O)=O)c(c1)[N+]([O-])=O
Structure:
