Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50011320
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54131
IC50 12±n/a nM
Citation Rosowsky, ABader, HWright, JEKeyomarsi, KMatherly, LH Synthesis and biological activity of N omega-hemiphthaloyl-alpha,omega- diaminoalkanoic acid analogues of aminopterin and 3',5-dichloroaminopterin. J Med Chem37:2167-74 (1994) [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:
BDBM50011320
NameBDBM50011320
Synonyms:CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid | N-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid(PT523)
TypeSmall organic molecule
Emp. Form.C27H27N9O6
Mol. Mass.573.56
SMILESNc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)cnc2n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a