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Target
Dihydrofolate reductase
Ligand
BDBM50128529
Substrate
n/a
Meas. Tech.
ChEMBL_53157 (CHEMBL665666)
IC50
21±n/a nM
Citation
 Wyss, PC; Gerber, P; Hartman, PG; Hubschwerlen, C; Locher, H; Marty, HP; Stahl, M Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening. J Med Chem 46:2304-12 (2003) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50128529
Synonyms:
5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[4,5-h]isoquinolin-8-ylmethyl)-pyrimidine-2,4-diamine | CHEMBL420755
Type:
Small organic molecule
Emp. Form.:
C17H21N5O3
Mol. Mass.:
343.3803
SMILES:
COc1cc2CCN(Cc3cnc(N)nc3N)[C@@H](C)c2c2OCOc12
Structure:
Search PDB for entries with ligand similarity: