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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50041178
Substrate
n/a
Meas. Tech.
ChEMBL_610312 (CHEMBL1071424)
IC50
89300±n/a nM
Citation
 Gangjee, A; Lin, X; Biondo, LR; Queener, SF CoMFA analysis of tgDHFR and rlDHFR based on antifolates with 6-5 fused ring system using the all-orientation search (AOS) routine and a modified cross-validated r(2)-guided region selection (q(2)-GRS) routine and its initial application. Bioorg Med Chem 18:1684-701 (2010) [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:
BDBM50041178
Synonyms:
5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyrimidine-2,4-diamine | 5-[(3,4-Dichloro-phenylamino)-methyl]-furo[2,3-d]pyrimidine-2,4-diamine | CHEMBL274278
Type:
Small organic molecule
Emp. Form.:
C13H11Cl2N5O
Mol. Mass.:
324.165
SMILES:
Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1
Structure:
Search PDB for entries with ligand similarity: