Reaction Details
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Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50063983
Substrate
n/a
Meas. Tech.
ChEMBL_53322 (CHEMBL664908)
IC50
32400±n/a nM
Citation
Gangjee, A; Guo, X; Queener, SF; Cody, V; Galitsky, N; Luft, JR; Pangborn, W Selective Pneumocystis carinii dihydrofolate reductase inhibitors: design, synthesis, and biological evaluation of new 2,4-diamino-5-substituted-furo[2,3-d]pyrimidines. J Med Chem 41:1263-71 (1998) [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:
BDBM50063983
Synonyms:
5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimidine-2,4-diamine | 5-[(4-Phenoxy-phenylamino)-methyl]-furo[2,3-d]pyrimidine-2,4-diamine | CHEMBL23297
Type:
Small organic molecule
Emp. Form.:
C19H17N5O2
Mol. Mass.:
347.3706
SMILES:
Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Structure:
