Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBifunctional dihydrofolate reductase-thymidylate synthase
LigandBDBM18224
Substrate/Competitorn/a
Meas. Tech.ChEMBL_53323 (CHEMBL664909)
IC50 17±n/a nM
Citation Rosowsky, AForsch, RAQueener, SF 2,4-Diaminopyrido[3,2-d]pyrimidine inhibitors of dihydrofolate reductase from Pneumocystis carinii and Toxoplasma gondii. J Med Chem38:2615-20 (1995) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Bifunctional dihydrofolate reductase-thymidylate synthase
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:
MQKPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKT
GDSGLPSPSVGKRFNAVVMGRKTWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEG
QQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPC
DVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNG
VPYDFVVLEKRRKTDDAATAEPSNAMSSLTSTRETTPVHGLQAPSSAAAIAPVLAWMDEE
DRKKREQKELIRAVPHVHFRGHEEFQYLDLIADIINNGRTMDDRTGVGVISKFGCTMRYS
LDQAFPLLTTKRVFWKGVLEELLWFIRGDTNANHLSEKGVKIWDKNVTREFLDSRNLPHR
EVGDIGPGYGFQWRHFGAAYKDMHTDYTGQGVDQLKNVIQMLRTNPTDRRMLMTAWNPAA
LDEMALPPCHLLCQFYVNDQKELSCIMYQRSCDVGLGVPFNIASYSLLTLMVAHVCNLKP
KEFIHFMGNTHVYTNHVEALKEQLRREPRPFPIVNILNKERIKEIDDFTAEDFEVVGYVP
HGRIQMEMAV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18224
n/a
NameBDBM18224
Synonyms:6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL7492 | PTX | Piritrexim | [2-amino-6-(2,5-dimethoxybenzyl)-5-methyl-pyrido[2,3-d]pyrimidin-4-yl]amine;2-hydroxyethanesulfonic acid
TypeSmall organic molecule
Emp. Form.C17H19N5O2
Mol. Mass.325.3651
SMILESCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: