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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50203234
Substrate
n/a
Meas. Tech.
ChEMBL_1624960 (CHEMBL3867372)
IC50
>10000±n/a nM
Citation
 Welsch, ME; Zhou, J; Gao, Y; Yan, Y; Porter, G; Agnihotri, G; Li, Y; Lu, H; Chen, Z; Thomas, SB Discovery of Potent and Selective Leads against ACS Med Chem Lett 7:1124-1129 (2016) [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:
BDBM50203234
Synonyms:
CHEMBL3949585
Type:
Small organic molecule
Emp. Form.:
C21H22ClN7O
Mol. Mass.:
423.899
SMILES:
Cc1nc(N)nc(N)c1C(=O)N1CCN(CC1)c1cc(Cl)ccc1-c1ccccn1
Structure:
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