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SMILES: COc1ccc(c(F)c1)-c1ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c1

InChI Key: InChIKey=DNVUWHWBCMGQLU-GOSISDBHSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50485076   
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)
BDBM50485076
PNG
(CHEMBL2023402)
Show SMILES COc1ccc(c(F)c1)-c1ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c1 |r|
Show InChI InChI=1S/C18H21FN2O6S/c1-18(17(23)20-24,28(3,25)26)7-9-21-8-6-12(10-16(21)22)14-5-4-13(27-2)11-15(14)19/h4-6,8,10-11,24H,7,9H2,1-3H3,(H,20,23)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LpxC expressed in Escherichia coli using UDP-3-O-N-acetylglucosamine substrate measured after 30 mins by mass sp...


J Med Chem 55: 1662-70 (2012)


Article DOI: 10.1021/jm2014875
BindingDB Entry DOI: 10.7270/Q2W38050
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)