Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50036484
Substrate
n/a
Meas. Tech.
ChEMBL_55119 (CHEMBL665445)
IC50
1500±n/a nM
Citation
 Rosowsky, A; Mota, CE; Queener, SF; Waltham, M; Ercikan-Abali, E; Bertino, JR 2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii. J Med Chem 38:745-52 (1995) [PubMed]
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:
BDBM50036484
Synonyms:
5-((E)-Styryl)-quinazoline-2,4-diamine | CHEMBL164845
Type:
Small organic molecule
Emp. Form.:
C16H14N4
Mol. Mass.:
262.3092
SMILES:
Nc1nc(N)c2c(\C=C\c3ccccc3)cccc2n1
Structure:
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