Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18070
Substrate
n/a
Meas. Tech.
ChEMBL_764179 (CHEMBL1821390)
Ki
0.081±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:
DYR_STAAU | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase (DfrB) | Tetrahydrofolate dehydrogenase | folA
Type:
Enzyme
Mol. Mass.:
18249.71
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
159
Sequence:
MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
  
Inhibitor
Name:
BDBM18070
Synonyms:
5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine | AR-100 | Iclaprim
Type:
Small organic molecule
Emp. Form.:
C19H22N4O3
Mol. Mass.:
354.403
SMILES:
COc1cc(Cc2cnc(N)nc2N)c2C=CC(Oc2c1OC)C1CC1 |c:16|
Structure:
Search PDB for entries with ligand similarity: