Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50392650
Substrate
n/a
Meas. Tech.
ChEMBL_854112 (CHEMBL2153943)
IC50
800±n/a nM
Citation
 Zhang, Z; Tian, C; Zhou, S; Wang, W; Guo, Y; Xia, J; Liu, Z; Wang, B; Wang, X; Golding, BT; Griff, RJ; Du, Y; Liu, J Mechanism-based design, synthesis and biological studies of N5-substituted tetrahydrofolate analogs as inhibitors of cobalamin-dependent methionine synthase and potential anticancer agents. Eur J Med Chem 58:228-36 (2012) [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:
BDBM50392650
Synonyms:
CHEMBL2153704
Type:
Small organic molecule
Emp. Form.:
C21H25N7O5
Mol. Mass.:
455.4671
SMILES:
Nc1nc(N)c2N3CN(CC3CCc2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
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