Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18071
Substrate
BDBM18044
Meas. Tech.
Enzyme Inhibition Assay
pH
7±n/a
Temperature
303.15±n/a K
Ki
8±n/a nM
IC50
50±7 nM
Comments
MIC=0.06 ug/mL.
Citation
 MUKHIJA, S; BANDERA, M; PARISI, S; RIGO, S; LIEB, S; LOCIURO, S; GILLESSEN, D; ISLAM, K AR-709-An Investigational diaminopyrimidine: Inhibition, Binding and Mode of Action. Interscience Conference on Antimicrobial Agents in Chemotherapy 0:1-1 (2006)   
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:
BDBM18071
Synonyms:
5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl}methyl)-N,N-dimethyl-1H-indole-2-carboxamide | AR-709
Type:
Small organic molecule
Emp. Form.:
C27H27ClN6O4
Mol. Mass.:
534.994
SMILES:
COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC
Structure:
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Substrate
Name:
BDBM18044
Synonyms:
(2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid | (S)-2-{4-[(2-Amino-4-hydroxy-7,8-dihydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | dihydrofolic acid
Type:
Small organic molecule
Emp. Form.:
C19H21N7O6
Mol. Mass.:
443.4133
SMILES:
Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27|
Structure:
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