Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50111552
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54285
Ki 0.00021±n/a nM
Citation Vaidya, CMWright, JERosowsky, A Synthesis and in vitro antitumor activity of new deaza analogues of the nonpolyglutamatable antifolate N(alpha)-(4-amino-4-deoxypteroyl)-N(delta)-hemiphthaloyl-L-ornithine (PT523). J Med Chem45:1690-6 (2002) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:Enzyme
Mol. Mass.:21453.99
Organism:Homo sapiens (Human)
Description:Recombinant human DHFR.
Residue:187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFS
IPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSS
VYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKF
EVYEKND
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50111552
NameBDBM50111552
Synonyms:CHEMBL297558 | N-(4-Carboxy-4-{4-[2-(6,8-diamino-naphthalen-2-yl)-ethyl]-benzoylamino}-butyl)-phthalamic acid
TypeSmall organic molecule
Emp. Form.C32H32N4O6
Mol. Mass.568.6197
SMILESNc1cc(N)c2cc(CCc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)ccc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a