Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50066497
Substrate
n/a
Meas. Tech.
ChEMBL_53459 (CHEMBL665585)
IC50
4.1±n/a nM
Citation
 Gangjee, AVidwans, APVasudevan, AQueener, SFKisliuk, RLCody, VLi, RGalitsky, NLuft, JRPangborn, W Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J Med Chem 41:3426-34 (1998) [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:
BDBM50066497
Synonyms:
CHEMBL114354 | N*6*-Methyl-N*6*-(5,6,7,8-tetrahydro-naphthalen-1-ylmethyl)-quinazoline-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C20H23N5
Mol. Mass.:
333.4301
SMILES:
CN(Cc1cccc2CCCCc12)c1ccc2nc(N)nc(N)c2c1
Structure:
Search PDB for entries with ligand similarity: