Found 20 hits with Last Name = 'heathcote' and Initial = 'da' 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 |
|---|
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclinE assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50347389
(CHEMBL1801932)Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclinH/MAT1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclinB1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/cyclinT assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclinE assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclinH/MAT1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 15
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | KEGG
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of ERK8 |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| Article
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| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclinH/MAT1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/cyclinT assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CK1 |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Insulin receptor-related protein
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of IRR |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| Article
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| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclinB1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| Article
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| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CAMKKbeta |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 3.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of ERK1 |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
MMDB
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| n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclinD1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
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Reactome pathway
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PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclinD1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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PubMed
| n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK6/cyclinD1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50347388
(CHEMBL1234833)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
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UniChem
Patents
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| Article
PubMed
| n/a | n/a | 3.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK6/cyclinD1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
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