Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMNQ7TM)

Drug Name

Purvalanol A Drug Info

Synonyms

Purvalanola; AC1L1JD0; PURVALANOLA; IN1131; 2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropyl-purine; SCHEMBL3311119; GTPL6030; CTK8F1120; CHEBI:93781; HMS3229M14; KS-00001DB0; HSCI1_000128; AKOS030238850; CCG-206875; RT-015158; K00014; 2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 456214
ChEBI ID: CHEBI:47600
CAS Number: CAS 212844-53-6
TTD Drug ID: DMNQ7TM

Molecule-Related Drug Atlas

Molecule Type:

DTT

DOT

Drug Status:

Clinical Trial Drug(s)

Patented Agent(s)

Discontinued Drug(s)

Investigative Drug(s)

Approved Drug(s)

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Drug(s) Targeting Cyclin-dependent kinase 1 (CDK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
R-roscovitine	DMSH108	Non-small-cell lung cancer	2C25.Y	Phase 2	[6]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[7]
P276-00	DM9DJL2	Mantle cell lymphoma	2A85.5	Phase 2	[6]
P-276	DMMJUHD	Breast cancer	2C60-2C65	Phase 2	[8]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[9]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[6]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[10]
Oxazolyl methylthiothiazole derivative 1	DMZM6FW	N. A.	N. A.	Patented	[11]
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[12]
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[13]
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Drug(s) Targeting Cyclin A2 (CCNA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PD-0183812	DMWYP86	Retinoblastoma	2D02.2	Terminated	[14]
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol	DMSKJ1X	Discovery agent	N.A.	Investigative	[15]
aloisine A	DM5U1LN	Discovery agent	N.A.	Investigative	[16]
3-((3,5-diamino-1H-pyrazol-4-yl)diazenyl)phenol	DMJZK40	Discovery agent	N.A.	Investigative	[15]
MERIOLIN 8	DM0E95B	Discovery agent	N.A.	Investigative	[17]
2,5-dichloro-N-p-tolylthiophene-3-sulfonamide	DMU5J8Y	Discovery agent	N.A.	Investigative	[18]
MERIOLIN 1	DMJT93H	Discovery agent	N.A.	Investigative	[17]
MERIOLIN 4	DMIJMZQ	Discovery agent	N.A.	Investigative	[17]
MERIOLIN 6	DMW5AXC	Discovery agent	N.A.	Investigative	[17]
MERIOLIN 5	DMGVLR0	Discovery agent	N.A.	Investigative	[17]
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Drug(s) Targeting Cyclin-dependent kinase 2 (CDK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
R-roscovitine	DMSH108	Non-small-cell lung cancer	2C25.Y	Phase 2	[6]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[7]
PHA848125	DMS2Q9G	Thymic cancer	2C27	Phase 2	[19]
TG02	DMZFIGQ	Anaplastic astrocytoma	2A00.0	Phase 1/2	[20]
NUV-422	DMQJQNT	Malignant glioma	2A00.0	Phase 1/2	[21]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[9]
FN-1501	DM7BMD6	Solid tumour/cancer	2A00-2F9Z	Phase 1	[22]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[6]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[10]
SNS-032	DMEITAS	Solid tumour/cancer	2A00-2F9Z	Phase 1	[23]
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Drug(s) Affected By Baculoviral IAP repeat-containing protein 5 (BIRC5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[24]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[25]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[26]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[27]
Etretinate	DM2CZFA	Keratosis	ED56	Approved	[28]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[29]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[30]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[31]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[32]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[33]
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Drug(s) Affected By Cellular tumor antigen p53 (TP53)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[34]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[35]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[36]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[37]
Cidofovir	DMA13GD	Cytomegalovirus infection	1D82	Approved	[38]
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[39]
Floxuridine	DM04LR2	Colorectal cancer	2B91.Z	Approved	[40]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[41]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[42]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[43]
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Drug(s) Affected By Tyrosine-protein kinase Lck (LCK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[44]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[45]
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[46]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[47]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[48]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[49]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[50]
Enzalutamide	DMGL19D	Prostate cancer	2C82.0	Approved	[51]
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[52]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[53]
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Drug(s) Affected By Elastin (ELN)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Penicillamine	DM40EF6	Cystinuria	5C60.2	Approved	[54]
Etretinate	DM2CZFA	Keratosis	ED56	Approved	[55]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[56]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[57]
Palbociclib	DMD7L94	Breast cancer	2C60-2C65	Approved	[5]
Dasatinib	DMJV2EK	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[58]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[59]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[60]
Triclosan	DMZUR4N	Malaria	1F40-1F45	Approved	[61]
Ifosfamide	DMCT3I8	Adult central nervous system germ cell tumor		Approved	[62]
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Drug(s) Affected By Mitogen-activated protein kinase 1 (MAPK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[63]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[64]
Carvedilol	DMHTEAO	Chronic heart failure	BD1Z	Approved	[65]
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[66]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[67]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[68]
Urokinase	DM0GOUD	Myocardial infarction	BA41-BA43	Approved	[62]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[69]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[70]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[71]
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Drug(s) Affected By Cyclin-dependent kinase inhibitor 1 (CDKN1A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[72]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[73]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[74]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[25]
Talazoparib	DM1KS78	Breast cancer	2C60-2C65	Approved	[75]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[76]
Etretinate	DM2CZFA	Keratosis	ED56	Approved	[28]
Prednisone	DM2HG4X	Acute asthma	CA23	Approved	[77]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[78]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[79]
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Drug(s) Affected By Tyrosine-protein kinase CSK (CSK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selenium	DM25CGV	N. A.	N. A.	Approved	[80]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[81]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[82]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[83]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[84]
Dasatinib	DMJV2EK	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[85]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[86]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[87]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[60]
Urokinase	DM0GOUD	Myocardial infarction	BA41-BA43	Approved	[62]
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Drug(s) Affected By Cyclin-dependent kinase inhibitor 2A (CDKN2A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[88]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[89]
Prednisone	DM2HG4X	Acute asthma	CA23	Approved	[77]
Thioridazine	DM35M8J	Schizophrenia	6A20	Approved	[90]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[91]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[92]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[36]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[93]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[94]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[95]
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Drug(s) Affected By Glycogen synthase kinase-3 beta (GSK3B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[96]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[97]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[98]
Selenium	DM25CGV	N. A.	N. A.	Approved	[80]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[99]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[100]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[91]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[101]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[81]
Glucosamine	DM4ZLFD	Osteoarthritis	FA00-FA05	Approved	[102]
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Drug(s) Affected By E3 ubiquitin-protein ligase Mdm2 (MDM2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[69]
Flucytosine	DM13VTW	Cryptococcal meningitis		Approved	[103]
Ganciclovir	DM1MBYQ	Cytomegalovirus infection	1D82	Approved	[103]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[104]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[105]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[106]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[107]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[36]
Acetic Acid, Glacial	DM4SJ5Y	infection in the ear canal	AA0Y	Approved	[108]
Amifostine	DM5FL14	Mucositis	CA00	Approved	[109]
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Drug(s) Affected By Dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[96]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[44]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[110]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[111]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[83]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[112]
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[113]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[114]
Urethane	DM7NSI0	N. A.	N. A.	Phase 4	[115]
Resveratrol	DM3RWXL	Giant cell arteritis	4A44.2	Phase 3	[116]
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Drug(s) Affected By Ribosomal protein S6 kinase alpha-1 (RPS6KA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[73]
Selenium	DM25CGV	N. A.	N. A.	Approved	[80]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[107]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[81]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[117]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[117]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[118]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[84]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[119]
Pioglitazone	DMKJ485	Amyotrophic lateral sclerosis	8B60.0	Approved	[120]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin A2 (CCNA2)	TTAMQ62	CCNA2_HUMAN	Inhibitor	[2]
Cyclin-dependent kinase 1 (CDK1)	TTH6V3D	CDK1_HUMAN	Inhibitor	[1]
Cyclin-dependent kinase 2 (CDK2)	TT7HF4W	CDK2_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Baculoviral IAP repeat-containing protein 5 (BIRC5)	OTILXZYL	BIRC5_HUMAN	Gene/Protein Processing	[3]
Cellular tumor antigen p53 (TP53)	OTIE1VH3	P53_HUMAN	Gene/Protein Processing	[3]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Gene/Protein Processing	[3]
Cyclin-dependent kinase inhibitor 2A (CDKN2A)	OTN0ZWAE	CDN2A_HUMAN	Gene/Protein Processing	[3]
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A)	OTPLXCDN	DYR1A_HUMAN	Gene/Protein Processing	[4]
E3 ubiquitin-protein ligase Mdm2 (MDM2)	OTOVXARF	MDM2_HUMAN	Gene/Protein Processing	[3]
Elastin (ELN)	OTFSO7PG	ELN_HUMAN	Gene/Protein Processing	[5]
Glycogen synthase kinase-3 beta (GSK3B)	OTL3L14B	GSK3B_HUMAN	Gene/Protein Processing	[3]
Mitogen-activated protein kinase 1 (MAPK1)	OTH85PI5	MK01_HUMAN	Gene/Protein Processing	[4]
Ribosomal protein S6 kinase alpha-1 (RPS6KA1)	OTDOTWU4	KS6A1_HUMAN	Gene/Protein Processing	[4]

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References

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9	Small-molecule multi-targeted kinase inhibitor RGB-286638 triggers P53-dependent and -independent anti-multiple myeloma activity through inhibition of transcriptional CDKs. Leukemia. 2013 Dec;27(12):2366-75.
10	A first in man, phase I dose-escalation study of PHA-793887, an inhibitor of multiple cyclin-dependent kinases (CDK2, 1 and 4) reveals unexpected h... Cell Cycle. 2011 Mar 15;10(6):963-70.
11	Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.
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14	Pyrido[2,3-d]pyrimidin-7-one inhibitors of cyclin-dependent kinases. J Med Chem. 2000 Nov 30;43(24):4606-16.
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16	Aloisines, a new family of CDK/GSK-3 inhibitors. SAR study, crystal structure in complex with CDK2, enzyme selectivity, and cellular effects. J Med Chem. 2003 Jan 16;46(2):222-36.
17	Meriolins (3-(pyrimidin-4-yl)-7-azaindoles): synthesis, kinase inhibitory activity, cellular effects, and structure of a CDK2/cyclin A/meriolin com... J Med Chem. 2008 Feb 28;51(4):737-51.
18	Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases, Bioorg. Med. Chem. Lett. 20(13):3863-3867 (2010).
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20	Preclinical metabolism and pharmacokinetics of SB1317 (TG02), a potent CDK/JAK2/FLT3 inhibitor. Drug Metab Lett. 2012 Mar;6(1):33-42.
21	ClinicalTrials.gov (NCT04541225) Phase 1/2 Dose Escalation, Safety, Pharmacokinetics, and Efficacy Study of NUV-422 in Adults With Recurrent or Refractory High-grade Gliomas and Solid Tumors. U.S.National Institutes of Health.
22	Discovery of 4-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-3-carboxamide (FN-1501), an FLT3- and CDK-Kinase Inhibitor with Potentially High Efficiency against Acute Myelocytic Leukemia. J Med Chem. 2018 Feb 22;61(4):1499-1518.
23	Mechanism of action of SNS-032, a novel cyclin-dependent kinase inhibitor, in chronic lymphocytic leukemia. Blood. 2009 May 7;113(19):4637-45.
24	mTOR inhibition reverses acquired endocrine therapy resistance of breast cancer cells at the cell proliferation and gene-expression levels. Cancer Sci. 2008 Oct;99(10):1992-2003. doi: 10.1111/j.1349-7006.2008.00955.x.
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