BindingDB logo
myBDB logout

BDBM264779 US9718792, 31

SMILES: CCc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1

InChI Key: InChIKey=HUTASXHNGGPPOU-CZUORRHYSA-N

Data: 1 IC50

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 1 hit for monomerid = 264779   
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-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM264779
PNG
(US9718792, 31)
Show SMILES CCc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:9|
Show InChI InChI=1S/C16H22N2O5S/c1-4-11-5-7-12(8-6-11)14-9-13(23-18-14)10-16(2,15(19)17-20)24(3,21)22/h5-8,13,20H,4,9-10H2,1-3H3,(H,17,19)/t13-,16-/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