Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50026273
Substrate
n/a
Meas. Tech.
ChEBML_54965
IC50
4.8±n/a nM
Citation
 Hynes, JB; Harmon, SJ; Floyd, GG; Farrington, M; Hart, LD; Gale, GR; Washtien, WL; Susten, SS; Freisheim, JH Chemistry and antitumor evaluation of selected classical 2,4-diaminoquinazoline analogues of folic acid. J Med Chem 28:209-15 (1985) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_RAT | Dhfr | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21638.84
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKFEVYEKKD
  
Inhibitor
Name:
BDBM50026273
Synonyms:
2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL305177
Type:
Small organic molecule
Emp. Form.:
C21H22N6O5
Mol. Mass.:
438.4366
SMILES:
Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2n1
Structure:
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