Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50016460
Substrate
n/a
Meas. Tech.
ChEMBL_54256 (CHEMBL669252)
IC50
2.6±n/a nM
Citation
 Rosowsky, A; Bader, H; Wright, JE; Keyomarsi, K; Matherly, LH Synthesis and biological activity of N omega-hemiphthaloyl-alpha,omega- diaminoalkanoic acid analogues of aminopterin and 3',5-dichloroaminopterin. J Med Chem 37:2167-74 (1994) [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:
BDBM50016460
Synonyms:
(S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid | CHEMBL296373 | Edatrexate | GNF-Pf-63 | TCMDC-137768
Type:
Small organic molecule
Emp. Form.:
C22H25N7O5
Mol. Mass.:
467.4778
SMILES:
CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Structure:
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