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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caseinolytic protein C1 (ClpC1 NTD E89Q)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-145,E89Q]


(Mycobacterium tuberculosis)
BDBM213240
PNG
(Cyclomarin A1 (CymA1))
Show SMILES [#6]-[#8]-[#6@@H](-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6@@H](-[#6])-[#6]-[#8])-[#7](-[#6])-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@@H](-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6@H](-[#6])\[#6]=[#6](/[#6])-[#6])-[#6@H](-[#8])-c1cn(c2ccccc12)C([#6])([#6])[#6@@H](-[#8])-[#6]-[#7]-[#6]-[#6]-[#6]-[#7])-c1ccccc1 |r|
Show InChI InChI=1S/C59H92N10O11/c1-33(2)27-37(8)47-55(76)65-48(50(72)41-31-69(42-24-19-18-23-40(41)42)59(10,11)45(71)30-61-26-20-25-60)58(79)68(13)44(29-36(7)32-70)53(74)62-38(9)52(73)66-49(51(80-14)39-21-16-15-17-22-39)56(77)63-46(35(5)6)57(78)67(12)43(28-34(3)4)54(75)64-47/h15-19,21-24,27,31,34-38,43-51,61,70-72H,20,25-26,28-30,32,60H2,1-14H3,(H,62,74)(H,63,77)(H,64,75)(H,65,76)(H,66,73)/t36-,37-,38+,43+,44+,45+,46+,47+,48+,49+,50-,51-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 65n/an/an/a7.525



Novartis Institute for Tropical Diseases



Assay Description
Isothermal titration calorimetry experiments were performed using an iTC200 (GEHealthcare) at 25 °C, with 15-20 μM ClpC1 (in 20 mM Tris-HCl, pH ...


J Biol Chem 288: 30883-91 (2013)


Article DOI: 10.1074/jbc.M113.493767
BindingDB Entry DOI: 10.7270/Q2XW4HN6
More data for this
Ligand-Target Pair