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BDBM152695 S02030

SMILES: OB(O)[C@H](Cn1cc(nn1)C(O)=O)NC(=O)Cc1cccs1

InChI Key: InChIKey=ZXGRTNOGXAKRBS-IMWMWJONNA-N

Data: 1 KI  1 Kd  1 ITC

PDB links: 3 PDB IDs match 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 = 152695   
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
ADC-7 beta-lactamase (ADC-7)


(Acinetobacter baumannii (g-Proteobacteria))
BDBM152695
PNG
(S02030)
Show SMILES OB(O)[C@H](Cn1cc(nn1)C(O)=O)NC(=O)Cc1cccs1
Show InChI InChI=1/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
44.5 -10.0n/a 590n/an/an/a7.425



Grand Valley State University



Assay Description
Steady state kinetics assays were performed on a Cary 100 UV−vis spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4) with 2 nM ADC-7....


Biochemistry 53: 7670-9 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 152695
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
ADC-7 beta-lactamase (ADC-7)

(Acinetobacter baumannii (g-Proteobacteria))
BDBM152695
JPEG
(S02030)
GoogleScholar
PDB
PC cid
PC sid
PDB
-8.500.199-9.316.247.4025



Grand Valley State University





Biochemistry 53: 7670-9 (2014)