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TargetDihydrofolate reductase
LigandBDBM50448741
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1298221 (CHEMBL3130226)
Ki 0.019000±n/a nM
Citation Lam, THilgers, MTCunningham, MLKwan, BPNelson, KJBrown-Driver, VOng, VTrzoss, MHough, GShaw, KJFinn, J Structure-based design of new dihydrofolate reductase antibacterial agents: 7-(benzimidazol-1-yl)-2,4-diaminoquinazolines. J Med Chem57:651-68 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
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:
MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRN
VVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRG
DTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
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BDBM50448741
n/a
NameBDBM50448741
Synonyms:CHEMBL3128017
TypeSmall organic molecule
Emp. Form.C21H19N7O2S
Mol. Mass.433.486
SMILESCOc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3C)c2cc1OC |(1.21,-27.45,;2.72,-27.14,;3.2,-25.67,;2.17,-24.52,;2.65,-23.07,;1.89,-21.74,;2.92,-20.6,;2.6,-19.08,;3.65,-17.94,;2.88,-16.59,;1.36,-16.91,;1.2,-18.45,;4.32,-21.22,;5.66,-20.46,;6.99,-21.23,;8.33,-20.45,;9.66,-21.22,;11,-20.44,;12.33,-21.21,;10.99,-18.9,;9.65,-18.14,;9.64,-16.6,;8.32,-18.91,;6.99,-18.14,;5.66,-18.92,;4.88,-17.57,;4.16,-22.75,;5.18,-23.89,;4.71,-25.35,;5.74,-26.5,;5.26,-27.96,)|
Structure
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