Found 32 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent Clp protease ATP-binding subunit ClpC1' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM213240
(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/a | n/a | n/a | 17.5 | n/a | n/a | n/a | 7.5 | 25 |
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 | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540283
(CHEMBL4643756)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H](O)CCl)NC1=O |r| Show InChI InChI=1S/C54H78ClN9O11/c1-13-14-18-37-47(67)60-40(27-35-29-63(54(9,10)46(66)28-55)41-19-16-15-17-36(35)41)53(73)62(12)44(24-32(6)7)51(71)59-39(25-34-20-21-45(65)42(26-34)64(74)75)48(68)56-33(8)52(72)61(11)43(23-31(4)5)50(70)58-38(22-30(2)3)49(69)57-37/h13-17,19-21,26,29-33,37-40,43-44,46,65-66H,18,22-25,27-28H2,1-12H3,(H,56,68)(H,57,69)(H,58,70)(H,59,71)(H,60,67)/b14-13+/t33-,37-,38-,39-,40-,43-,44-,46+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-493]
(Mycobacterium tuberculosis) | BDBM213240
(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/a | n/a | n/a | 19.2 | n/a | n/a | n/a | 7.5 | 25 |
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 | |
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-145,F2A]
(Mycobacterium tuberculosis) | BDBM213240
(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/a | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | 7.5 | 25 |
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 | |
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-145,F80A]
(Mycobacterium tuberculosis) | BDBM213240
(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/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | 7.5 | 25 |
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 | |
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-145,E89A]
(Mycobacterium tuberculosis) | BDBM213240
(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/a | n/a | n/a | 127 | n/a | n/a | n/a | 7.5 | 25 |
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 | |
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-145,F2Y]
(Mycobacterium tuberculosis) | BDBM213240
(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/a | n/a | n/a | 780 | n/a | n/a | n/a | 7.5 | 25 |
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 | |
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-145,F80Y]
(Mycobacterium tuberculosis) | BDBM213240
(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/a | n/a | n/a | 124 | n/a | n/a | n/a | 7.5 | 25 |
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 | |
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-145,E89Q]
(Mycobacterium tuberculosis) | BDBM213240
(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/a | n/a | n/a | 65 | n/a | n/a | n/a | 7.5 | 25 |
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 | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540273
(CHEMBL4637575)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@H](C)CO)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC1=O |r| Show InChI InChI=1S/C54H77N9O12/c1-12-13-17-37-47(66)59-40(26-35-27-62(54(8,9)46-29-75-46)41-18-15-14-16-36(35)41)53(72)61(11)43(22-31(4)5)50(69)58-39(24-34-19-20-45(65)42(25-34)63(73)74)48(67)55-33(7)52(71)60(10)44(23-32(6)28-64)51(70)57-38(21-30(2)3)49(68)56-37/h12-16,18-20,25,27,30-33,37-40,43-44,46,64-65H,17,21-24,26,28-29H2,1-11H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)/b13-12+/t32-,33-,37-,38-,39-,40-,43-,44-,46+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540274
(CHEMBL4641855)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@@H](C)CO)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC1=O |r| Show InChI InChI=1S/C54H77N9O12/c1-12-13-17-37-47(66)59-40(26-35-27-62(54(8,9)46-29-75-46)41-18-15-14-16-36(35)41)53(72)61(11)43(22-31(4)5)50(69)58-39(24-34-19-20-45(65)42(25-34)63(73)74)48(67)55-33(7)52(71)60(10)44(23-32(6)28-64)51(70)57-38(21-30(2)3)49(68)56-37/h12-16,18-20,25,27,30-33,37-40,43-44,46,64-65H,17,21-24,26,28-29H2,1-11H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)/b13-12+/t32-,33+,37+,38+,39+,40+,43+,44+,46-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540275
(CHEMBL4649631)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@H](C)CO)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)C=C)NC1=O |r| Show InChI InChI=1S/C54H77N9O11/c1-13-15-19-38-47(66)59-41(28-36-29-62(54(9,10)14-2)42-20-17-16-18-37(36)42)53(72)61(12)44(24-32(5)6)50(69)58-40(26-35-21-22-46(65)43(27-35)63(73)74)48(67)55-34(8)52(71)60(11)45(25-33(7)30-64)51(70)57-39(23-31(3)4)49(68)56-38/h13-18,20-22,27,29,31-34,38-41,44-45,64-65H,2,19,23-26,28,30H2,1,3-12H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)/b15-13+/t33-,34-,38-,39-,40-,41-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540276
(CHEMBL4643598)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)C=C)NC1=O |r| Show InChI InChI=1S/C54H78N8O8/c1-14-16-20-40-47(64)59-43(30-37-31-62(54(10,11)15-2)44-21-18-17-19-39(37)44)53(70)61(13)46(28-34(7)8)51(68)58-42(29-36-22-24-38(63)25-23-36)48(65)55-35(9)52(69)60(12)45(27-33(5)6)50(67)57-41(26-32(3)4)49(66)56-40/h14-19,21-25,31-35,40-43,45-46,63H,2,20,26-30H2,1,3-13H3,(H,55,65)(H,56,66)(H,57,67)(H,58,68)(H,59,64)/b16-14+/t35-,40-,41-,42-,43-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540277
(CHEMBL4649342)Show SMILES COC(OC)C(C)C[C@@H]1N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC(=O)[C@H](C\C=C\C)NC(=O)[C@H](CC(C)C)NC1=O |r| Show InChI InChI=1S/C56H81N9O13/c1-14-15-19-38-48(67)61-41(28-36-29-64(56(8,9)47-30-78-47)42-20-17-16-18-37(36)42)54(73)63(11)44(24-32(4)5)51(70)60-40(26-35-21-22-46(66)43(27-35)65(74)75)49(68)57-34(7)53(72)62(10)45(25-33(6)55(76-12)77-13)52(71)59-39(23-31(2)3)50(69)58-38/h14-18,20-22,27,29,31-34,38-41,44-45,47,55,66H,19,23-26,28,30H2,1-13H3,(H,57,68)(H,58,69)(H,59,71)(H,60,70)(H,61,67)/b15-14+/t33?,34-,38-,39-,40-,41-,44-,45-,47+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540278
(CHEMBL4647204)Show SMILES [H][C@@]12C[C@@H](C)[C@@H](O)N([C@@H](CC(C)C)C(=O)N[C@@H](C\C=C\C)C(=O)N[C@@H](Cc3cn(c4ccccc34)C(C)(C)[C@H](O)CO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)c(c3)[N+]([O-])=O)C(=O)N[C@@H](C)C(=O)N1C)C2=O |r| Show InChI InChI=1S/C54H77N9O13/c1-12-13-17-36-46(67)58-38(26-34-27-61(54(8,9)45(66)28-64)39-18-15-14-16-35(34)39)52(73)59(10)41(21-29(2)3)48(69)57-37(24-33-19-20-44(65)40(25-33)63(75)76)47(68)55-32(7)51(72)60(11)43-23-31(6)50(71)62(53(43)74)42(22-30(4)5)49(70)56-36/h12-16,18-20,25,27,29-32,36-38,41-43,45,50,64-66,71H,17,21-24,26,28H2,1-11H3,(H,55,68)(H,56,70)(H,57,69)(H,58,67)/b13-12+/t31-,32+,36+,37+,38+,41+,42+,43+,45-,50-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540279
(CHEMBL4637113)Show SMILES [H][C@@]12C[C@](C)(O)[C@@H](O)N([C@@H](CC(C)C)C(=O)N[C@@H](C\C=C\C)C(=O)N[C@@H](Cc3cn(c4ccccc34)C(C)(C)[C@H]3CO3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)c(c3)[N+]([O-])=O)C(=O)N[C@@H](C)C(=O)N1C)C2=O |r| Show InChI InChI=1S/C54H75N9O13/c1-12-13-17-35-45(65)58-37(25-33-27-61(53(7,8)44-28-76-44)38-18-15-14-16-34(33)38)50(70)59(10)40(21-29(2)3)47(67)57-36(23-32-19-20-43(64)39(24-32)63(74)75)46(66)55-31(6)49(69)60(11)42-26-54(9,73)52(72)62(51(42)71)41(22-30(4)5)48(68)56-35/h12-16,18-20,24,27,29-31,35-37,40-42,44,52,64,72-73H,17,21-23,25-26,28H2,1-11H3,(H,55,66)(H,56,68)(H,57,67)(H,58,65)/b13-12+/t31-,35-,36-,37-,40-,41-,42-,44+,52+,54-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540280
(CHEMBL4648320)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC1=O |r| Show InChI InChI=1S/C54H77N9O11/c1-13-14-18-37-47(65)59-40(27-35-28-62(54(9,10)46-29-74-46)41-19-16-15-17-36(35)41)53(71)61(12)44(24-32(6)7)51(69)58-39(25-34-20-21-45(64)42(26-34)63(72)73)48(66)55-33(8)52(70)60(11)43(23-31(4)5)50(68)57-38(22-30(2)3)49(67)56-37/h13-17,19-21,26,28,30-33,37-40,43-44,46,64H,18,22-25,27,29H2,1-12H3,(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H,59,65)/b14-13+/t33-,37-,38-,39-,40-,43-,44-,46+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540281
(CHEMBL4642233)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)C=C)NC1=O |r| Show InChI InChI=1S/C54H77N9O10/c1-14-16-20-38-47(65)59-41(29-36-30-62(54(10,11)15-2)42-21-18-17-19-37(36)42)53(71)61(13)45(26-33(7)8)51(69)58-40(27-35-22-23-46(64)43(28-35)63(72)73)48(66)55-34(9)52(70)60(12)44(25-32(5)6)50(68)57-39(24-31(3)4)49(67)56-38/h14-19,21-23,28,30-34,38-41,44-45,64H,2,20,24-27,29H2,1,3-13H3,(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H,59,65)/b16-14+/t34-,38-,39-,40-,41-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540282
(CHEMBL4638710)Show SMILES [H][C@@]12CC(C)[C@@H](O)N([C@@H](CC(C)C)C(=O)N[C@@H](C\C=C\C)C(=O)N[C@@H](Cc3cn(c4ccccc34)C(C)(C)[C@H]3CO3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)c(c3)[N+]([O-])=O)C(=O)N[C@@H](C)C(=O)N1C)C2=O |r| Show InChI InChI=1S/C54H75N9O12/c1-12-13-17-36-46(65)58-38(26-34-27-61(54(8,9)45-28-75-45)39-18-15-14-16-35(34)39)52(71)59(10)41(21-29(2)3)48(67)57-37(24-33-19-20-44(64)40(25-33)63(73)74)47(66)55-32(7)51(70)60(11)43-23-31(6)50(69)62(53(43)72)42(22-30(4)5)49(68)56-36/h12-16,18-20,25,27,29-32,36-38,41-43,45,50,64,69H,17,21-24,26,28H2,1-11H3,(H,55,66)(H,56,68)(H,57,67)(H,58,65)/b13-12+/t31?,32-,36-,37-,38-,41-,42-,43-,45+,50+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540283
(CHEMBL4643756)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H](O)CCl)NC1=O |r| Show InChI InChI=1S/C54H78ClN9O11/c1-13-14-18-37-47(67)60-40(27-35-29-63(54(9,10)46(66)28-55)41-19-16-15-17-36(35)41)53(73)62(12)44(24-32(6)7)51(71)59-39(25-34-20-21-45(65)42(26-34)64(74)75)48(68)56-33(8)52(72)61(11)43(23-31(4)5)50(70)58-38(22-30(2)3)49(69)57-37/h13-17,19-21,26,29-33,37-40,43-44,46,65-66H,18,22-25,27-28H2,1-12H3,(H,56,68)(H,57,69)(H,58,70)(H,59,71)(H,60,67)/b14-13+/t33-,37-,38-,39-,40-,43-,44-,46+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 ... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540273
(CHEMBL4637575)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@H](C)CO)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC1=O |r| Show InChI InChI=1S/C54H77N9O12/c1-12-13-17-37-47(66)59-40(26-35-27-62(54(8,9)46-29-75-46)41-18-15-14-16-36(35)41)53(72)61(11)43(22-31(4)5)50(69)58-39(24-34-19-20-45(65)42(25-34)63(73)74)48(67)55-33(7)52(71)60(10)44(23-32(6)28-64)51(70)57-38(21-30(2)3)49(68)56-37/h12-16,18-20,25,27,30-33,37-40,43-44,46,64-65H,17,21-24,26,28-29H2,1-11H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)/b13-12+/t32-,33-,37-,38-,39-,40-,43-,44-,46+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540274
(CHEMBL4641855)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@@H](C)CO)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC1=O |r| Show InChI InChI=1S/C54H77N9O12/c1-12-13-17-37-47(66)59-40(26-35-27-62(54(8,9)46-29-75-46)41-18-15-14-16-36(35)41)53(72)61(11)43(22-31(4)5)50(69)58-39(24-34-19-20-45(65)42(25-34)63(73)74)48(67)55-33(7)52(71)60(10)44(23-32(6)28-64)51(70)57-38(21-30(2)3)49(68)56-37/h12-16,18-20,25,27,30-33,37-40,43-44,46,64-65H,17,21-24,26,28-29H2,1-11H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)/b13-12+/t32-,33+,37+,38+,39+,40+,43+,44+,46-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540275
(CHEMBL4649631)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@H](C)CO)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)C=C)NC1=O |r| Show InChI InChI=1S/C54H77N9O11/c1-13-15-19-38-47(66)59-41(28-36-29-62(54(9,10)14-2)42-20-17-16-18-37(36)42)53(72)61(12)44(24-32(5)6)50(69)58-40(26-35-21-22-46(65)43(27-35)63(73)74)48(67)55-34(8)52(71)60(11)45(25-33(7)30-64)51(70)57-39(23-31(3)4)49(68)56-38/h13-18,20-22,27,29,31-34,38-41,44-45,64-65H,2,19,23-26,28,30H2,1,3-12H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)/b15-13+/t33-,34-,38-,39-,40-,41-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540276
(CHEMBL4643598)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)C=C)NC1=O |r| Show InChI InChI=1S/C54H78N8O8/c1-14-16-20-40-47(64)59-43(30-37-31-62(54(10,11)15-2)44-21-18-17-19-39(37)44)53(70)61(13)46(28-34(7)8)51(68)58-42(29-36-22-24-38(63)25-23-36)48(65)55-35(9)52(69)60(12)45(27-33(5)6)50(67)57-41(26-32(3)4)49(66)56-40/h14-19,21-25,31-35,40-43,45-46,63H,2,20,26-30H2,1,3-13H3,(H,55,65)(H,56,66)(H,57,67)(H,58,68)(H,59,64)/b16-14+/t35-,40-,41-,42-,43-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540277
(CHEMBL4649342)Show SMILES COC(OC)C(C)C[C@@H]1N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC(=O)[C@H](C\C=C\C)NC(=O)[C@H](CC(C)C)NC1=O |r| Show InChI InChI=1S/C56H81N9O13/c1-14-15-19-38-48(67)61-41(28-36-29-64(56(8,9)47-30-78-47)42-20-17-16-18-37(36)42)54(73)63(11)44(24-32(4)5)51(70)60-40(26-35-21-22-46(66)43(27-35)65(74)75)49(68)57-34(7)53(72)62(10)45(25-33(6)55(76-12)77-13)52(71)59-39(23-31(2)3)50(69)58-38/h14-18,20-22,27,29,31-34,38-41,44-45,47,55,66H,19,23-26,28,30H2,1-13H3,(H,57,68)(H,58,69)(H,59,71)(H,60,70)(H,61,67)/b15-14+/t33?,34-,38-,39-,40-,41-,44-,45-,47+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540284
(CHEMBL4636448)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC1=O |r| Show InChI InChI=1S/C53H75N9O11/c1-12-13-17-36-46(64)58-40(26-34-27-61(53(9,10)45-28-73-45)41-18-15-14-16-35(34)41)50(68)56-37(21-29(2)3)49(67)57-39(24-33-19-20-44(63)42(25-33)62(71)72)47(65)54-32(8)52(70)60(11)43(23-31(6)7)51(69)59-38(22-30(4)5)48(66)55-36/h12-16,18-20,25,27,29-32,36-40,43,45,63H,17,21-24,26,28H2,1-11H3,(H,54,65)(H,55,66)(H,56,68)(H,57,67)(H,58,64)(H,59,69)/b13-12+/t32-,36-,37-,38-,39-,40-,43-,45+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540278
(CHEMBL4647204)Show SMILES [H][C@@]12C[C@@H](C)[C@@H](O)N([C@@H](CC(C)C)C(=O)N[C@@H](C\C=C\C)C(=O)N[C@@H](Cc3cn(c4ccccc34)C(C)(C)[C@H](O)CO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)c(c3)[N+]([O-])=O)C(=O)N[C@@H](C)C(=O)N1C)C2=O |r| Show InChI InChI=1S/C54H77N9O13/c1-12-13-17-36-46(67)58-38(26-34-27-61(54(8,9)45(66)28-64)39-18-15-14-16-35(34)39)52(73)59(10)41(21-29(2)3)48(69)57-37(24-33-19-20-44(65)40(25-33)63(75)76)47(68)55-32(7)51(72)60(11)43-23-31(6)50(71)62(53(43)74)42(22-30(4)5)49(70)56-36/h12-16,18-20,25,27,29-32,36-38,41-43,45,50,64-66,71H,17,21-24,26,28H2,1-11H3,(H,55,68)(H,56,70)(H,57,69)(H,58,67)/b13-12+/t31-,32+,36+,37+,38+,41+,42+,43+,45-,50-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540279
(CHEMBL4637113)Show SMILES [H][C@@]12C[C@](C)(O)[C@@H](O)N([C@@H](CC(C)C)C(=O)N[C@@H](C\C=C\C)C(=O)N[C@@H](Cc3cn(c4ccccc34)C(C)(C)[C@H]3CO3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)c(c3)[N+]([O-])=O)C(=O)N[C@@H](C)C(=O)N1C)C2=O |r| Show InChI InChI=1S/C54H75N9O13/c1-12-13-17-35-45(65)58-37(25-33-27-61(53(7,8)44-28-76-44)38-18-15-14-16-34(33)38)50(70)59(10)40(21-29(2)3)47(67)57-36(23-32-19-20-43(64)39(24-32)63(74)75)46(66)55-31(6)49(69)60(11)42-26-54(9,73)52(72)62(51(42)71)41(22-30(4)5)48(68)56-35/h12-16,18-20,24,27,29-31,35-37,40-42,44,52,64,72-73H,17,21-23,25-26,28H2,1-11H3,(H,55,66)(H,56,68)(H,57,67)(H,58,65)/b13-12+/t31-,35-,36-,37-,40-,41-,42-,44+,52+,54-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540280
(CHEMBL4648320)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)[C@H]2CO2)NC1=O |r| Show InChI InChI=1S/C54H77N9O11/c1-13-14-18-37-47(65)59-40(27-35-28-62(54(9,10)46-29-74-46)41-19-16-15-17-36(35)41)53(71)61(12)44(24-32(6)7)51(69)58-39(25-34-20-21-45(64)42(26-34)63(72)73)48(66)55-33(8)52(70)60(11)43(23-31(4)5)50(68)57-38(22-30(2)3)49(67)56-37/h13-17,19-21,26,28,30-33,37-40,43-44,46,64H,18,22-25,27,29H2,1-12H3,(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H,59,65)/b14-13+/t33-,37-,38-,39-,40-,43-,44-,46+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540281
(CHEMBL4642233)Show SMILES C\C=C\C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c(c2)[N+]([O-])=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(c3ccccc23)C(C)(C)C=C)NC1=O |r| Show InChI InChI=1S/C54H77N9O10/c1-14-16-20-38-47(65)59-41(29-36-30-62(54(10,11)15-2)42-21-18-17-19-37(36)42)53(71)61(13)45(26-33(7)8)51(69)58-40(27-35-22-23-46(64)43(28-35)63(72)73)48(66)55-34(9)52(70)60(12)44(25-32(5)6)50(68)57-39(24-31(3)4)49(67)56-38/h14-19,21-23,28,30-34,38-41,44-45,64H,2,20,24-27,29H2,1,3-13H3,(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H,59,65)/b16-14+/t34-,38-,39-,40-,41-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1
(Mycobacterium tuberculosis) | BDBM50540282
(CHEMBL4638710)Show SMILES [H][C@@]12CC(C)[C@@H](O)N([C@@H](CC(C)C)C(=O)N[C@@H](C\C=C\C)C(=O)N[C@@H](Cc3cn(c4ccccc34)C(C)(C)[C@H]3CO3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)c(c3)[N+]([O-])=O)C(=O)N[C@@H](C)C(=O)N1C)C2=O |r| Show InChI InChI=1S/C54H75N9O12/c1-12-13-17-36-46(65)58-38(26-34-27-61(54(8,9)45-28-75-45)39-18-15-14-16-35(34)39)52(71)59(10)41(21-29(2)3)48(67)57-37(24-33-19-20-44(64)40(25-33)63(73)74)47(66)55-32(7)51(70)60(11)43-23-31(6)50(69)62(53(43)72)42(22-30(4)5)49(68)56-36/h12-16,18-20,25,27,29-32,36-38,41-43,45,50,64,69H,17,21-24,26,28H2,1-11H3,(H,55,66)(H,56,68)(H,57,67)(H,58,65)/b13-12+/t31?,32-,36-,37-,38-,41-,42-,43-,45+,50+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by su... |
J Nat Prod 83: 657-667 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01095 BindingDB Entry DOI: 10.7270/Q2959N3R |
More data for this Ligand-Target Pair | |
ATP-dependent Clp protease ATP-binding subunit ClpC1 [1-145]
(Mycobacterium tuberculosis) | BDBM213240
(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/a | n/a | n/a | 12 | n/a | n/a | n/a | 7.5 | 25 |
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 | |