Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50548088
Substrate
n/a
Meas. Tech.
ChEMBL_2019937 (CHEMBL4673750)
Ki
2800±n/a nM
Citation
 Riboldi, GP; Zigweid, R; Myler, PJ; Mayclin, SJ; Couņago, RM; Staker, BL Identification of P218 as a potent inhibitor of  RSC Med Chem 12:103-109 (2021) [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:
BDBM50548088
Synonyms:
CHEMBL3040038
Type:
Small organic molecule
Emp. Form.:
C18H24N4O4
Mol. Mass.:
360.4076
SMILES:
CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(O)=O
Structure:
Search PDB for entries with ligand similarity: