Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50008293
Substrate
n/a
Meas. Tech.
ChEMBL_54610 (CHEMBL669623)
Ki
0.00585±n/a nM
Citation
 Piper, JR; Malik, ND; Rhee, MS; Galivan, J; Sirotnak, FM Synthesis and antifolate evaluation of the 10-propargyl derivatives of 5-deazafolic acid, 5-deazaaminopterin, and 5-methyl-5-deazaaminopterin. J Med Chem 35:332-7 (1992) [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:
BDBM50008293
Synonyms:
2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL114733
Type:
Small organic molecule
Emp. Form.:
C23H23N7O5
Mol. Mass.:
477.4726
SMILES:
Nc1nc(N)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Structure:
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