Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50158571
Substrate
n/a
Meas. Tech.
ChEMBL_430663 (CHEMBL919631)
Ki
2.1±n/a nM
Citation
 Rosowsky, A; Forsch, RA; Wright, JE Synthesis and in vitro antifolate activity of rotationally restricted aminopterin and methotrexate analogues. J Med Chem 47:6958-63 (2004) [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:
BDBM50158571
Synonyms:
2-S-[5-[N-(2,4--diaminopteridin-6-yl)methyl)-N-methyl-amino]-2,3-dihydro-1-oxo-2(1H)-isoindollyl]glutaric acid | CHEMBL224946
Type:
Small organic molecule
Emp. Form.:
C21H22N8O5
Mol. Mass.:
466.45
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc2C(=O)N(Cc2c1)[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
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