Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50023899
Substrate
n/a
Meas. Tech.
ChEBML_53887
IC50
57±n/a nM
Citation
Rosowsky, A; Bader, H; Radike-Smith, M; Cucchi, CA; Wick, MM; Freisheim, JH Methotrexate analogues. 28. Synthesis and biological evaluation of new gamma-monoamides of aminopterin and methotrexate. J Med Chem 29:1703-9 (1986) [PubMed] Article
More Info.:
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:
BDBM50023899
Synonyms:
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-(3,4-dihydroxy-phenylcarbamoyl)-butyric acid | CHEMBL45679
Type:
Small organic molecule
Emp. Form.:
C25H25N9O6
Mol. Mass.:
547.5227
SMILES:
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccc(O)c(O)c3)C(O)=O)cnc2n1