Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50023712
Substrate
n/a
Meas. Tech.
ChEBML_54443
IC50
34±n/a nM
Citation
 Rosowsky, A; Bader, H; Cucchi, CA; Moran, RG; Kohler, W; Freisheim, JH Methotrexate analogues. 33. N delta-acyl-N alpha-(4-amino-4-deoxypteroyl)-L-ornithine derivatives: synthesis and in vitro antitumor activity. J Med Chem 31:1332-7 (1988) [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:
BDBM50023712
Synonyms:
5-Benzoylamino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-formyl-amino]-benzoylamino}-pentanoic acid | CHEMBL27514
Type:
Small organic molecule
Emp. Form.:
C27H27N9O5
Mol. Mass.:
557.5606
SMILES:
Nc1nc(N)c2nc(CN(C=O)c3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3)C(O)=O)cnc2n1
Structure:
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