Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50232566
Substrate
n/a
Meas. Tech.
ChEMBL_461066 (CHEMBL944098)
IC50
98000±n/a nM
Citation
 Thurmond, J; Butchbach, ME; Palomo, M; Pease, B; Rao, M; Bedell, L; Keyvan, M; Pai, G; Mishra, R; Haraldsson, M; Andresson, T; Bragason, G; Thosteinsdottir, M; Bjornsson, JM; Coovert, DD; Burghes, AH; Gurney, ME; Singh, J Synthesis and biological evaluation of novel 2,4-diaminoquinazoline derivatives as SMN2 promoter activators for the potential treatment of spinal muscular atrophy. J Med Chem 51:449-69 (2008) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50232566
Synonyms:
5-(3-chlorobenzyloxy)quinazoline-2,4-diamine | CHEMBL250231
Type:
Small organic molecule
Emp. Form.:
C15H13ClN4O
Mol. Mass.:
300.743
SMILES:
Nc1nc(N)c2c(OCc3cccc(Cl)c3)cccc2n1
Structure:
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