Reaction Details Report a problem with these data
Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM94892
Substrate
n/a
Meas. Tech.
ChEMBL_53326 (CHEMBL664912)
IC50
690.0±n/a nM
Citation
 Stevens, MF; Phillip, KS; Rathbone, DL; O'Shea, DM; Queener, SF; Schwalbe, CH; Lambert, PA Structural studies on bioactive compounds. 28. Selective activity of triazenyl-substituted pyrimethamine derivatives against Pneumocystis carinii dihydrofolate reductase. J Med Chem 40:1886-93 (1997) [PubMed]  Article 
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:
BDBM94892
Synonyms:
5-(3-azido-4-chloranyl-phenyl)-6-ethyl-pyrimidine-2,4-diamine;ethanesulfonic acid | 5-(3-azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;ethanesulfonic acid | CHEMBL299045 | MLS002701720 | SMR001565317 | [2-amino-5-(3-azido-4-chloro-phenyl)-6-ethyl-pyrimidin-4-yl]amine;esylic acid | cid_343097 | cid_343098
Type:
Small organic molecule
Emp. Form.:
C12H12ClN7
Mol. Mass.:
289.724
SMILES:
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)N=[N+]=[N-]
Structure:
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