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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM18069
Substrate
n/a
Meas. Tech.
ChEMBL_53464 (CHEMBL665589)
IC50
2700±n/a nM
Citation
 Rosowsky, A; Mota, CE; Queener, SF; Waltham, M; Ercikan-Abali, E; Bertino, JR 2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii. J Med Chem 38:745-52 (1995) [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:
BDBM18069
Synonyms:
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | CHEMBL22 | TMP | Trimethoprim | Trimethoprim (TMP) | US10870625, Compound TMP
Type:
Small organic molecule
Emp. Form.:
C14H18N4O3
Mol. Mass.:
290.3177
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: