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Target
Dihydrofolate reductase
Ligand
BDBM50068811
Substrate
n/a
Meas. Tech.
ChEMBL_54279 (CHEMBL669872)
Ki
0.000±n/a nM
Citation
 Rosowsky, A; Wright, JE; Vaidya, CM; Bader, H; Forsch, RA; Mota, CE; Pardo, J; Chen, CS; Chen, YN Synthesis and potent antifolate activity and cytotoxicity of B-ring deaza analogues of the nonpolyglutamatable dihydrofolate reductase inhibitor Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloyl- L-ornithine (PT523). J Med Chem 41:5310-9 (1999) [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:
BDBM50068811
Synonyms:
CHEMBL149218 | N-(4-Carboxy-4-{4-[(2,4-diamino-5-methyl-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
Type:
Small organic molecule
Emp. Form.:
C30H31N7O6
Mol. Mass.:
585.6104
SMILES:
Cc1c(CNc2ccc(cc2)C(=O)NC(CCCNC(=O)c2ccccc2C(O)=O)C(O)=O)ccc2nc(N)nc(N)c12
Structure:
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