Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50028531
Substrate
n/a
Meas. Tech.
ChEBML_54593
Ki
0.003600±n/a nM
Citation
 Piper, JR; Montgomery, JA; Sirotnak, FM; Chello, PL Syntheses of alpha- and gamma-substituted amides, peptides, and esters of methotrexate and their evaluation as inhibitors of folate metabolism. J Med Chem 25:182-7 (1982) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_MOUSE | Dhfr
Type:
Enzyme
Mol. Mass.:
21608.82
Organism:
Mus musculus (Mouse)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPRGAHFLAKSLDDALRLIEQPELASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPEYPGVLSEVQEEKGIKYKFEVYEKKD
  
Inhibitor
Name:
BDBM50028531
Synonyms:
4-Benzylcarbamoyl-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid | CHEMBL284360
Type:
Small organic molecule
Emp. Form.:
C27H29N9O4
Mol. Mass.:
543.5771
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)NCc1ccccc1)C(O)=O
Structure:
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