Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18268
Substrate
n/a
Meas. Tech.
ChEMBL_138607 (CHEMBL746911)
Ki
0.81±n/a nM
Citation
Pineda, P; Kanter, A; McIvor, RS; Benkovic, SJ; Rosowsky, A; Wagner, CR Dihydrofolate reductase mutant with exceptional resistance to methotrexate but not to trimetrexate. J Med Chem 46:2816-8 (2003) [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:
BDBM18268
Synonyms:
5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine | CHEMBL119 | TMQ | Trimetrexate | US11111252, Compound TMQ | US11530198, Example Trimetrexate
Type:
Small organic molecule
Emp. Form.:
C19H23N5O3
Mol. Mass.:
369.4176
SMILES:
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC