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SMILES: Nc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O

InChI Key: InChIKey=HUXHHCLIJZRUQT-UHFFFAOYSA-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 3 hits for monomerid = 262282   
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
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262282
PNG
(3-(2-aminobenzo[d]thiazol- 4-yl)-2-(1H-tetrazol-5-...)
Show SMILES Nc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C14H11N7O2S2/c15-14-17-12-8(4-1-5-9(12)24-14)7-3-2-6-10(25(16,22)23)11(7)13-18-20-21-19-13/h1-6H,(H2,15,17)(H2,16,22,23)(H,18,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22.6n/an/an/an/a7.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)


BindingDB Entry DOI: 10.7270/Q2FN186K
More data for this
Ligand-Target Pair
VIM-1 metallo-beta-lactamase


(Klebsiella pneumoniae)
BDBM262282
PNG
(3-(2-aminobenzo[d]thiazol- 4-yl)-2-(1H-tetrazol-5-...)
Show SMILES Nc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C14H11N7O2S2/c15-14-17-12-8(4-1-5-9(12)24-14)7-3-2-6-10(25(16,22)23)11(7)13-18-20-21-19-13/h1-6H,(H2,15,17)(H2,16,22,23)(H,18,19,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.1n/an/an/an/a7.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)


BindingDB Entry DOI: 10.7270/Q2FN186K
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM262282
PNG
(3-(2-aminobenzo[d]thiazol- 4-yl)-2-(1H-tetrazol-5-...)
Show SMILES Nc1nc2c(cccc2s1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C14H11N7O2S2/c15-14-17-12-8(4-1-5-9(12)24-14)7-3-2-6-10(25(16,22)23)11(7)13-18-20-21-19-13/h1-6H,(H2,15,17)(H2,16,22,23)(H,18,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.280n/an/an/an/a7.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US9708336 (2017)


BindingDB Entry DOI: 10.7270/Q2FN186K
More data for this
Ligand-Target Pair