Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50042354
Substrate
n/a
Meas. Tech.
ChEMBL_305461 (CHEMBL830957)
IC50
110±n/a nM
Citation
 Gangjee, A; Lin, X CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate reductase. J Med Chem 48:1448-69 (2005) [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:
BDBM50042354
Synonyms:
CHEMBL115788 | N-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-ylmethyl)-N-(3,4,5-trimethoxy-phenyl)-formamide
Type:
Small organic molecule
Emp. Form.:
C19H22N6O4
Mol. Mass.:
398.4158
SMILES:
COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C=O
Structure:
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