Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50054213
Substrate
n/a
Meas. Tech.
ChEMBL_54454 (CHEMBL669308)
IC50
370±n/a nM
Citation
 Mao, Z; Pan, J; Kalman, TI Design and synthesis of histidine analogues of folic acid and methotrexate as potential folylpolyglutamate synthetase inhibitors. J Med Chem 39:4340-4 (1996) [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:
BDBM50054213
Synonyms:
3-(1-Carboxymethyl-1H-imidazol-4-yl)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-propionic acid | CHEMBL136133
Type:
Small organic molecule
Emp. Form.:
C23H24N10O5
Mol. Mass.:
520.5007
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(Cc1cn(CC(O)=O)cn1)C(O)=O
Structure:
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