Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM131856
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.2±n/a nM
Citation
 Chen, Z; Creighton, CJ; Cunningham, M; Finn, J; Hilgers, M; Jung, M; Kohnen, LA; Lam, T; Li, X; Stidham, M; Tari, L; Trzoss, M; Zhang, J Dihydrofolate reductase inhibitors US Patent  US8835445 Publication Date 9/16/2014 
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:
BDBM131856
Synonyms:
US8835445, 39
Type:
Small organic molecule
Emp. Form.:
C21H22N6O2S
Mol. Mass.:
422.503
SMILES:
Cc1c(nc(-c2cccs2)n1-c1ccc2c(N)nc(N)nc2c1)C(=O)OC(C)(C)C
Structure:
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