Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50027656
Substrate
n/a
Meas. Tech.
ChEMBL_2236555 (CHEMBL5150451)
Ki
7.2±n/a nM
Citation
 Wang, S; Yuan, XH; Wang, SQ; Zhao, W; Chen, XB; Yu, B FDA-approved pyrimidine-fused bicyclic heterocycles for cancer therapy: Synthesis and clinical application. Eur J Med Chem 214:0 (2021) [PubMed] 
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:
BDBM50027656
Synonyms:
CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | US9422297, Pemetrexed
Type:
Small organic molecule
Emp. Form.:
C20H21N5O6
Mol. Mass.:
427.4106
SMILES:
Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Structure:
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