Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50058420
Substrate
n/a
Meas. Tech.
ChEMBL_55294 (CHEMBL665205)
Ki
0.009±n/a nM
Citation
Robson, C; Meek, MA; Grunwaldt, JD; Lambert, PA; Queener, SF; Schmidt, D; Griffin, RJ Nonclassical 2,4-diamino-5-aryl-6-ethylpyrimidine antifolates: activity as inhibitors of dihydrofolate reductase from Pneumocystis carinii and Toxoplasma gondii and as antitumor agents. J Med Chem 40:3040-8 (1997) [PubMed] Article
More Info.:
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:
BDBM50058420
Synonyms:
(methylbenzoprim, MBP) 5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine | 5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine | CHEMBL56170 | cid_72438
Type:
Small organic molecule
Emp. Form.:
C20H22N6O2
Mol. Mass.:
378.4277
SMILES:
CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccccc2)c(c1)[N+]([O-])=O