Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50026390
Substrate
n/a
Meas. Tech.
ChEBML_54600
Ki
6.35±n/a nM
Citation
 Piper, JR; McCaleb, GS; Montgomery, JA; Schmid, FA; Sirotnak, FM Syntheses and evaluation as antifolates of MTX analogues derived from 2, omega-diaminoalkanoic acids. J Med Chem 28:1016-25 (1985) [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:
BDBM50026390
Synonyms:
2--[3-(2-Carboxy-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino} -n-nitraso]-ethyl ester | CHEMBL8070
Type:
Small organic molecule
Emp. Form.:
C22H27N11O5
Mol. Mass.:
525.5205
SMILES:
CCOC(=O)C(CNC(=O)N(C)N=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1
Structure:
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