Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50042353
Substrate
n/a
Meas. Tech.
ChEMBL_54778 (CHEMBL667855)
IC50
140±n/a nM
Citation
 Gangjee, A; Shi, J; Queener, SF; Barrows, LR; Kisliuk, RL Synthesis of 5-methyl-5-deaza nonclassical antifolates as inhibitors of dihydrofolate reductases and as potential antipneumocystis, antitoxoplasma, and antitumor agents. J Med Chem 36:3437-43 (1993) [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:
BDBM50042353
Synonyms:
CHEMBL116614 | N-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-ylmethyl)-N-(3,4-dichloro-phenyl)-formamide
Type:
Small organic molecule
Emp. Form.:
C16H14Cl2N6O
Mol. Mass.:
377.228
SMILES:
Cc1c(CN(C=O)c2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12
Structure:
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