Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50026276
Substrate
n/a
Meas. Tech.
ChEMBL_54963 (CHEMBL666694)
IC50
4.9±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:
BDBM50026276
Synonyms:
2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-formyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL303654
Type:
Small organic molecule
Emp. Form.:
C22H22N6O6
Mol. Mass.:
466.4467
SMILES:
Nc1nc(N)c2cc(CN(C=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2n1
Structure:
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