Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50016341
Substrate
n/a
Meas. Tech.
ChEBML_54440
IC50
82.0±n/a nM
Citation
 Rosowsky, A; Forsch, RA; Freisheim, JH; Danenberg, PV; Moran, RG; Wick, MM Methotrexate analogues. 29. Effect of gamma-aminobutyric acid spacers between the pteroyl and glutamate moieties on enzyme binding and cell growth inhibition. J Med Chem 29:1872-6 (1986) [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:
BDBM50016341
Synonyms:
2-(4-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid | CHEMBL56005
Type:
Small organic molecule
Emp. Form.:
C24H29N9O6
Mol. Mass.:
539.5438
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NCCCC(=O)NC(CCC(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: