Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50108174
Substrate
n/a
Meas. Tech.
ChEMBL_54943 (CHEMBL669014)
IC50
12000±n/a nM
Citation
 Rosowsky, A; Forsch, RA; Queener, SF Inhibition of Pneumocystis carinii, Toxoplasma gondii, and Mycobacterium avium dihydrofolate reductases by 2,4-diamino-5-[2-methoxy-5-(omega-carboxyalkyloxy)benzyl]pyrimidines: marked improvement in potency relative to trimethoprim and species selectivity relative to piritrexim. J Med Chem 45:233-41 (2001) [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:
BDBM50108174
Synonyms:
7-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenoxy]-heptanoic acid | CHEMBL36310
Type:
Small organic molecule
Emp. Form.:
C19H26N4O4
Mol. Mass.:
374.4341
SMILES:
COc1ccc(OCCCCCCC(O)=O)cc1Cc1cnc(N)nc1N
Structure:
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