Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50111549
Substrate
n/a
Meas. Tech.
ChEMBL_54285 (CHEMBL666804)
Ki
0.00035±n/a nM
Citation
 Vaidya, CM; Wright, JE; Rosowsky, 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 Chem 45:1690-6 (2002) [PubMed]  Article 
Target
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:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50111549
Synonyms:
CHEMBL47689 | N-(4-Carboxy-4-{4-[2-(6,8-diamino-quinoxalin-2-yl)-ethyl]-benzoylamino}-butyl)-phthalamic acid
Type:
Small organic molecule
Emp. Form.:
C30H30N6O6
Mol. Mass.:
570.5958
SMILES:
Nc1cc(N)c2nc(CCc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)cnc2c1
Structure:
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