Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50004544
Substrate
n/a
Meas. Tech.
ChEBML_54607
Ki
0.002800±n/a nM
Citation
DeGraw, JI; Brown, VH; Tagawa, H; Kisliuk, RL; Gaumont, Y; Sirotnak, FM Synthesis and antitumor activity of 10-alkyl-10-deazaminopterins. A convenient synthesis of 10-deazaminopterin. J Med Chem 25:1227-30 (1983) [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:
BDBM50004544
Synonyms:
2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid | 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(1.75H2O) | 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(10-Et-10-DA) | 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(Edatrexate) | 2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | 2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid(10-EDAM) | CHEMBL9798
Type:
Small organic molecule
Emp. Form.:
C22H25N7O5
Mol. Mass.:
467.4778
SMILES:
CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O