Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50050391
Substrate
n/a
Meas. Tech.
ChEMBL_55115 (CHEMBL665442)
IC50
14300±n/a nM
Citation
 Piper, JR; Johnson, CA; Krauth, CA; Carter, RL; Hosmer, CA; Queener, SF; Borotz, SE; Pfefferkorn, ER Lipophilic antifolates as agents against opportunistic infections. 1. Agents superior to trimetrexate and piritrexim against Toxoplasma gondii and Pneumocystis carinii in in vitro evaluations. J Med Chem 39:1271-80 (1996) [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:
BDBM50050391
Synonyms:
6-(4-Chloro-phenylsulfanylmethyl)-pteridine-2,4-diamine | CHEMBL23787
Type:
Small organic molecule
Emp. Form.:
C13H11ClN6S
Mol. Mass.:
318.785
SMILES:
Nc1nc(N)c2nc(CSc3ccc(Cl)cc3)cnc2n1
Structure:
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