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Target
Dihydrofolate reductase
Ligand
BDBM50023897
Substrate
n/a
Meas. Tech.
ChEMBL_53887 (CHEMBL668914)
IC50
44±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 
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:
BDBM50023897
Synonyms:
4-tert-Butylcarbamoyl-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyric acid | CHEMBL44697
Type:
Small organic molecule
Emp. Form.:
C23H29N9O4
Mol. Mass.:
495.5343
SMILES:
CC(C)(C)NC(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O
Structure:
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