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SMILES: Cn1nc(Nc2nc(N[C@H](CO)c3cccc(F)c3)nc3n[nH]cc23)cc1C(C)(C)C

InChI Key: InChIKey=CSPWDCNZZIXSPY-OAHLLOKOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 123118   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-N-acetylmuramate--L-alanine ligase


(Escherichia coli)
BDBM123118
PNG
((S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1nc(Nc2nc(N[C@H](CO)c3cccc(F)c3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C21H25FN8O/c1-21(2,3)16-9-17(29-30(16)4)25-18-14-10-23-28-19(14)27-20(26-18)24-15(11-31)12-6-5-7-13(22)8-12/h5-10,15,31H,11H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123118
PNG
((S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1nc(Nc2nc(N[C@H](CO)c3cccc(F)c3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C21H25FN8O/c1-21(2,3)16-9-17(29-30(16)4)25-18-14-10-23-28-19(14)27-20(26-18)24-15(11-31)12-6-5-7-13(22)8-12/h5-10,15,31H,11H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<0.5n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair