Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50068808
Substrate
n/a
Meas. Tech.
ChEMBL_54285 (CHEMBL666804)
Ki
0.000014±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:
BDBM50068808
Synonyms:
CHEMBL297088 | N-(4-Carboxy-4-{4-[(2,4-diamino-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid | N-(4-Carboxy-4-{4-[1-(6,8-diamino-quinoxalin-2-ylmethyl)-but-3-ynyl]-benzoylamino}-butyl)-phthalamic acid
Type:
Small organic molecule
Emp. Form.:
C29H29N7O6
Mol. Mass.:
571.5839
SMILES:
Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)ccc2n1
Structure:
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