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Target
Dihydrofolate reductase
Ligand
BDBM50128534
Substrate
n/a
Meas. Tech.
ChEMBL_53964 (CHEMBL669450)
IC50
85.0±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:
BDBM50128534
Synonyms:
5-(4,11-Dimethyl-1,2,4,11-tetrahydro-pyrido[4,3-a]carbazol-3-ylmethyl)-pyrimidine-2,4-diamine | CHEMBL308758
Type:
Small organic molecule
Emp. Form.:
C22H24N6
Mol. Mass.:
372.4662
SMILES:
CC1N(Cc2cnc(N)nc2N)CCc2c1ccc1c3ccccc3n(C)c21
Structure:
Search PDB for entries with ligand similarity: