Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50127147
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54971 (CHEMBL666700)
IC50 19000±n/a nM
Citation Rosowsky, AForsch, RAQueener, SF Further studies on 2,4-diamino-5-(2',5'-disubstituted benzyl)pyrimidines as potent and selective inhibitors of dihydrofolate reductases from three major opportunistic pathogens of AIDS. J Med Chem46:1726-36 (2003) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
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:
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFS
IPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSS
VYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKF
EVYEKKD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50127147
n/a
NameBDBM50127147
Synonyms:3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenoxymethyl]-benzoic acid | CHEMBL288647
TypeSmall organic molecule
Emp. Form.C20H20N4O4
Mol. Mass.380.3972
SMILESCOc1ccc(OCc2cccc(c2)C(O)=O)cc1Cc1cnc(N)nc1N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: