Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50112313
Substrate
n/a
Meas. Tech.
ChEMBL_54105 (CHEMBL668435)
IC50
1000±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Synthesis of N-[4-[1-ethyl-2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid as an antifolate. J Med Chem 45:1942-8 (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:
BDBM50112313
Synonyms:
2-({4-[2-(4,6-Diamino-furo[2,3-b]pyridin-3-yl)-ethyl]-benzoyl}-methyl-amino)-pentanedioic acid | CHEMBL57444
Type:
Small organic molecule
Emp. Form.:
C21H22N4O6
Mol. Mass.:
426.4226
SMILES:
Nc1cc(N)c2c(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1
Structure:
Search PDB for entries with ligand similarity: