Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 791.9 BDBM50542849

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 14 hits in this display   

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
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ measured after 90 mins by scintillation counting ...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ measured after 90 mins by scintillation counting ...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-MK299 from Y1 receptor in human SK-N-MC cells				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-MK299 from Y1 receptor in human SK-N-MC cells				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]propionyl-pNPY from human Y5 receptor expressed in human HEC1B cells				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]propionyl-pNPY from human Y5 receptor expressed in human HEC1B cells				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]propionyl-pNPY from human Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]propionyl-pNPY from human Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as intracellular calcium mobilization measured for 43 ...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	245	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as intracellular calcium mobilization measured for 43 ...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	166	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 assessed as induction of beta-arrestin1 recruitment measured for 40 mins...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 assessed as induction of beta-arrestin1 recruitment measured for 40 mins...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	148	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 assessed as induction of beta-arrestin2 recruitment measured for 40 mins...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50542849 (CHEMBL4641831) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C38H57N13O6/c1-21(2)17-31(36(57)49-29(10-6-16-46-38(43)44)34(55)50-30(32(40)53)18-22-11-13-24(52)14-12-22)51-35(56)28(9-5-15-45-37(41)42)48-33(54)26(39)19-23-20-47-27-8-4-3-7-25(23)27/h3-4,7-8,11-14,20-21,26,28-31,47,52H,5-6,9-10,15-19,39H2,1-2H3,(H2,40,53)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t26-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 assessed as induction of beta-arrestin2 recruitment measured for 40 mins...				J Med Chem 63: 8198-8215 (2020) Article DOI: 10.1021/acs.jmedchem.0c00426 BindingDB Entry DOI: 10.7270/Q22R3W7V
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