Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50066490
Substrate
n/a
Meas. Tech.
ChEMBL_538598 (CHEMBL1026636)
IC50
26±n/a nM
Citation
 Gangjee, A; Adair, OO; Pagley, M; Queener, SF N9-substituted 2,4-diaminoquinazolines: synthesis and biological evaluation of lipophilic inhibitors of pneumocystis carinii and toxoplasma gondii dihydrofolate reductase. J Med Chem 51:6195-200 (2008) [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:
BDBM50066490
Synonyms:
2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE | CHEMBL325434 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-methyl-quinazoline-2,4,6-triamine | N6-(2,5-dimethoxybenzyl)-N6-methylquinazoline-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C18H21N5O2
Mol. Mass.:
339.3916
SMILES:
COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1
Structure:
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