Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50514997
Substrate
n/a
Meas. Tech.
ChEMBL_1859548 (CHEMBL4360404)
IC50
53±n/a nM
Citation
 Gao, T; Zhang, C; Shi, X; Guo, R; Zhang, K; Gu, J; Li, L; Li, S; Zheng, Q; Cui, M; Cui, M; Gao, X; Liu, Y; Wang, L Targeting dihydrofolate reductase: Design, synthesis and biological evaluation of novel 6-substituted pyrrolo[2,3-d]pyrimidines as nonclassical antifolates and as potential antitumor agents. Eur J Med Chem 178:329-340 (2019) [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:
BDBM50514997
Synonyms:
CHEMBL4531384
Type:
Small organic molecule
Emp. Form.:
C22H21N7O3
Mol. Mass.:
431.4472
SMILES:
Nc1nc2[nH]c(CCNC(=O)c3cccc(c3)C(=O)NCc3cccnc3)cc2c(=O)[nH]1
Structure:
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