Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50063983
Substrate
n/a
Meas. Tech.
ChEMBL_54945 (CHEMBL669016)
IC50
16200±n/a nM
Citation
 Gangjee, A; Guo, X; Queener, SF; Cody, V; Galitsky, N; Luft, JR; Pangborn, W Selective Pneumocystis carinii dihydrofolate reductase inhibitors: design, synthesis, and biological evaluation of new 2,4-diamino-5-substituted-furo[2,3-d]pyrimidines. J Med Chem 41:1263-71 (1998) [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:
BDBM50063983
Synonyms:
5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimidine-2,4-diamine | 5-[(4-Phenoxy-phenylamino)-methyl]-furo[2,3-d]pyrimidine-2,4-diamine | CHEMBL23297
Type:
Small organic molecule
Emp. Form.:
C19H17N5O2
Mol. Mass.:
347.3706
SMILES:
Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Structure:
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