Target
Dihydrofolate reductase
Ligand
BDBM50068810
Substrate
n/a
Meas. Tech.
ChEMBL_54279 (CHEMBL669872)
Ki
0.000±n/a nM
Citation
 Rosowsky, AWright, JEVaidya, CMBader, HForsch, RAMota, CEPardo, JChen, CSChen, 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:
BDBM50068810
Synonyms:
CHEMBL149164 | N-(4-Carboxy-4-{4-[(2,4-diamino-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
Type:
Small organic molecule
Emp. Form.:
C28H28N8O6
Mol. Mass.:
572.5719
SMILES:
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)ccc2n1
Structure:
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