Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50351196
Substrate
n/a
Meas. Tech.
ChEMBL_764181 (CHEMBL1821392)
Ki
11.1±n/a nM
Citation
 Li, X; Hilgers, M; Cunningham, M; Chen, Z; Trzoss, M; Zhang, J; Kohnen, L; Lam, T; Creighton, C; G C, K; Nelson, K; Kwan, B; Stidham, M; Brown-Driver, V; Shaw, KJ; Finn, J Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg Med Chem Lett 21:5171-6 (2011) [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:
BDBM50351196
Synonyms:
CHEMBL1818124
Type:
Small organic molecule
Emp. Form.:
C17H17BrN4O
Mol. Mass.:
373.247
SMILES:
CCOc1ccc(Br)cc1-c1cc2nc(N)nc(N)c2cc1C
Structure:
Search PDB for entries with ligand similarity: