BindingDB PrimarySearch

null

SMILES: CC(=O)Oc1ccccc1C(O)=O

InChI Key: InChIKey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N

PDB links: 8 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 125 hits for monomerid = 22360
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme immuno assay				Bioorg Med Chem 16: 1948-56 (2008) Article DOI: 10.1016/j.bmc.2007.11.003 BindingDB Entry DOI: 10.7270/Q2VH5PPP
University of Alberta Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (Bos taurus)	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]5-HT binding to serotonin receptor of rat fundus membranes				J Med Chem 27: 1317-21 (1984) BindingDB Entry DOI: 10.7270/Q25T3NPD
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of COX1 after 5 mins by spectrophotometric analysis				Bioorg Med Chem Lett 22: 2494-6 (2012) Article DOI: 10.1016/j.bmcl.2012.02.002 BindingDB Entry DOI: 10.7270/Q28W3F9M
Kinki University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.41E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of COX2 after 5 mins by spectrophotometric analysis				Bioorg Med Chem Lett 22: 2494-6 (2012) Article DOI: 10.1016/j.bmcl.2012.02.002 BindingDB Entry DOI: 10.7270/Q28W3F9M
Kinki University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of COX1				Eur J Med Chem 45: 4058-64 (2010) Article DOI: 10.1016/j.ejmech.2010.05.065 BindingDB Entry DOI: 10.7270/Q2GQ6ZQG
University of Karachi Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of COX2				Eur J Med Chem 45: 4058-64 (2010) Article DOI: 10.1016/j.ejmech.2010.05.065 BindingDB Entry DOI: 10.7270/Q2GQ6ZQG
University of Karachi Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against cyclooxygenase of human platelets was determined				J Med Chem 30: 726-9 (1987) BindingDB Entry DOI: 10.7270/Q2Q81G93
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Antagonistic potency for NK-1 receptor was determined in a radioligand binding assay using IM9 human lymphoblastoma cell line.				J Nat Prod 80: 2472-2477 (2017) Article DOI: 10.1021/acs.jnatprod.7b00322 BindingDB Entry DOI: 10.7270/Q29Z97DR
Michigan State University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human COX-2 preincubated for 15 mins by fluorescence analysis				ACS Med Chem Lett 6: 1086-90 (2015) Article DOI: 10.1021/acsmedchemlett.5b00286 BindingDB Entry DOI: 10.7270/Q2ZG6W79
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using tyrosine 4 as substrate by fluorescence analysis				ACS Med Chem Lett 6: 1086-90 (2015) Article DOI: 10.1021/acsmedchemlett.5b00286 BindingDB Entry DOI: 10.7270/Q2ZG6W79
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of Ovine COX-1 preincubated for 15 mins by fluorescence analysis				ACS Med Chem Lett 6: 1086-90 (2015) Article DOI: 10.1021/acsmedchemlett.5b00286 BindingDB Entry DOI: 10.7270/Q2ZG6W79
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Sarajevo School of Science and Technology Curated by ChEMBL					Assay Description Inhibition of MPO (unknown origin)				Bioorg Med Chem Lett 29: 1-7 (2019) Article DOI: 10.1016/j.bmcl.2018.11.031 BindingDB Entry DOI: 10.7270/Q2BC42S5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pusan National University Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...				Eur J Med Chem 180: 86-98 (2019) Article DOI: 10.1016/j.ejmech.2019.07.016 BindingDB Entry DOI: 10.7270/Q2T43XHG
Pusan National University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pusan National University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluore...				Eur J Med Chem 180: 86-98 (2019) Article DOI: 10.1016/j.ejmech.2019.07.016 BindingDB Entry DOI: 10.7270/Q2T43XHG
Pusan National University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Eur J Med Chem 179: 272-309 (2019) Article DOI: 10.1016/j.ejmech.2019.06.034 BindingDB Entry DOI: 10.7270/Q2FX7DXP
University of Delhi Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Eur J Med Chem 179: 272-309 (2019) Article DOI: 10.1016/j.ejmech.2019.06.034 BindingDB Entry DOI: 10.7270/Q2FX7DXP
University of Delhi Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX1 (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9
TBA					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of COX2 (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00065 BindingDB Entry DOI: 10.7270/Q2988BP9
TBA					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.bmcl.2016.04.046 BindingDB Entry DOI: 10.7270/Q2WW7NC3
TBA					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate \| 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...				Citation and Details Article DOI: 10.1016/j.bmcl.2016.04.046 BindingDB Entry DOI: 10.7270/Q2WW7NC3
TBA					More data for this Ligand-Target Pair

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