Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50138701
Substrate
n/a
Meas. Tech.
ChEMBL_54789 (CHEMBL667866)
IC50
>400000±n/a nM
Citation
 Roth, B; Aig, E; Lane, K; Rauckman, BS 2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 4. 6-Substituted trimethoprim derivatives from phenolic Mannich intermediates. Application to the synthesis of trimethoprim and 3,5-dialkylbenzyl analogues. J Med Chem 23:535-41 (1980) [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:
BDBM50138701
Synonyms:
6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,4-diamine | 6-methyl-5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine | CHEMBL325533
Type:
Small organic molecule
Emp. Form.:
C15H20N4O3
Mol. Mass.:
304.3443
SMILES:
COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1OC
Structure:
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