Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50026273
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54287 (CHEMBL666806)
Ki 0.010000±n/a nM
Citation Rosowsky, AMota, CEQueener, SFWaltham, MErcikan-Abali, EBertino, JR 2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii. J Med Chem38:745-52 (1995) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:DHFR | DYR_HUMAN | 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:
BDBM50026273
n/a
NameBDBM50026273
Synonyms:2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL305177
TypeSmall organic molecule
Emp. Form.C21H22N6O5
Mol. Mass.438.4366
SMILESNc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: