Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50351174
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.026±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:
BDBM50351174
Synonyms:
CHEMBL1818128 | US8835445, 31
Type:
Small organic molecule
Emp. Form.:
C21H20N4O
Mol. Mass.:
344.4097
SMILES:
CCOc1ccc2ccccc2c1-c1cc2nc(N)nc(N)c2cc1C |(2,-3.46,;.66,-2.69,;-.67,-3.47,;-2,-2.7,;-3.33,-3.47,;-4.68,-2.7,;-4.67,-1.16,;-6,-.39,;-6,1.14,;-4.66,1.91,;-3.34,1.14,;-3.34,-.39,;-2.01,-1.16,;-.68,-.39,;.66,-1.17,;1.99,-.39,;3.33,-1.15,;4.66,-.38,;6,-1.14,;4.65,1.17,;3.32,1.93,;3.31,3.47,;1.99,1.16,;.66,1.92,;-.67,1.15,;-2.01,1.92,)|
Structure:
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