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SMILES: C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccncc1)(C(=O)NO)S(C)(=O)=O

InChI Key: InChIKey=IOFYVPHQHGIGPE-VQIMIIECSA-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 = 264904   
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-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)
BDBM264904
PNG
(US9718792, 78 | US9718792, 85)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccncc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H21N3O5S/c1-19(18(23)21-24,28(2,25)26)12-16-11-17(22-27-16)15-5-3-13(4-6-15)14-7-9-20-10-8-14/h3-10,16,24H,11-12H2,1-2H3,(H,21,23)/t16-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.00100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...


US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)
BDBM264904
PNG
(US9718792, 78 | US9718792, 85)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccncc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H21N3O5S/c1-19(18(23)21-24,28(2,25)26)12-16-11-17(22-27-16)15-5-3-13(4-6-15)14-7-9-20-10-8-14/h3-10,16,24H,11-12H2,1-2H3,(H,21,23)/t16-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.00100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...


US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair