Ki Summary

Reaction Details

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Target

Bifunctional dihydrofolate reductase-thymidylate synthase

Ligand

BDBM33406

Substrate/Competitor

BDBM18044

IC50

22200±n/a nM

Citation

Gangjee, A; Li, W; Lin, L; Zeng, Y; Ihnat, M; Warnke, LA; Green, DW; Cody, V; Pace, J; Queener, SF Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors. Bioorg Med Chem17:7324-36 (2009) [PubMed] Article

More Info.:

Get all data from this article, 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

BDBM33406

BDBM18044

Name

BDBM33406

Synonyms:

2,4-diaminofuro[2,3-d]pyrimidine, 12

Type

Small organic molecule

Emp. Form.

C19H24N4O2

Mol. Mass.

340.4195

SMILES

COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12

Structure