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

General Information of Drug (ID: DMMZQB5)

• Drug Name: S-(2-boronoethyl)-L-cysteine Drug Info
• Synonyms: S-(2-Boronoethyl)-L-cysteine; 63107-40-4; L-Cysteine, S-(2-boronoethyl)-; (2R)-2-amino-3-{[2-(dihydroxyboranyl)ethyl]sulfanyl}propanoic acid; C5H12BNO4S; SCHEMBL439378; GTPL5264; CHEBI:59346; CTK2F2710; DTXSID00432180; MolPort-039-139-054; HMS3648G13; 1633AH; AKOS006284223; ZINC195750889; S-[2-(dihydroxyboryl)ethyl]-L-cysteine; SR-01000946213; SR-01000946213-1; (R)-2-Amino-3-((2-boronoethyl)thio)propanoic acid; (2R)-2-amino-3-{[2-boronoethyl]thio}propanoic acid; (2R)-2-amino-3-{[2-boronoethyl]sulfanyl}propanoic acid; S-2-(Boronoethyl)-L-Cysteine

Indication

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

• Cross-matching ID:
  PubChem CID: 9877608
  ChEBI ID: CHEBI:59346
  CAS Number: CAS 63107-40-4
  TTD Drug ID: DMMZQB5

Molecule-Related Drug Atlas

Drug(s) Targeting Kidney-type arginase (ARG2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
N-hydroxy-nor-L-arginine	DMCIAJL	N. A.	N. A.	Investigative	[5]

Drug(s) Affected By Arginase-2, mitochondrial (ARG2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[7]
Selenium	DM25CGV	N. A.	N. A.	Approved	[8]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[9]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[10]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[11]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[12]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[13]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[14]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[15]

Drug(s) Affected By Arginase-1 (ARG1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[16]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[17]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[10]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[18]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[12]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[19]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[19]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[20]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[21]
Cholecalciferol	DMGU74E	Adult acute monocytic leukemia		Approved	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Kidney-type arginase (ARG2)	TTV1AG6	ARGI2_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Arginase-1 (ARG1)	OTHZITAM	ARGI1_HUMAN	Gene/Protein Processing	[3]
Arginase-2, mitochondrial (ARG2)	OTCPI0E8	ARGI2_HUMAN	Protein Interaction/Cellular Processes	[4]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5264).
• [2] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [3] Inhibition profile of Leishmania mexicana arginase reveals differences with human arginase I. Int J Parasitol. 2011 Apr;41(5):545-52. doi: 10.1016/j.ijpara.2010.12.006. Epub 2011 Jan 11.
• [4] Binding of ,-disubstituted amino acids to arginase suggests new avenues for inhibitor design. J Med Chem. 2011 Aug 11;54(15):5432-43. doi: 10.1021/jm200443b. Epub 2011 Jul 18.
• [5] Arginase reciprocally regulates nitric oxide synthase activity and contributes to endothelial dysfunction in aging blood vessels. Circulation. 2003 Oct 21;108(16):2000-6.
• [6] Cannabidiol enhances cytotoxicity of anti-cancer drugs in human head and neck squamous cell carcinoma. Sci Rep. 2020 Nov 26;10(1):20622. doi: 10.1038/s41598-020-77674-y.
• [7] Time series analysis of oxidative stress response patterns in HepG2: a toxicogenomics approach. Toxicology. 2013 Apr 5;306:24-34.
• [8] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [9] Methotrexate modulates folate phenotype and inflammatory profile in EA.hy 926 cells. Eur J Pharmacol. 2014 Jun 5;732:60-7.
• [10] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [11] Temporal changes in gene expression in the skin of patients treated with isotretinoin provide insight into its mechanism of action. Dermatoendocrinol. 2009 May;1(3):177-87.
• [12] Keratinocyte-derived IL-36gama plays a role in hydroquinone-induced chemical leukoderma through inhibition of melanogenesis in human epidermal melanocytes. Arch Toxicol. 2019 Aug;93(8):2307-2320.
• [13] Inter-laboratory comparison of human renal proximal tubule (HK-2) transcriptome alterations due to Cyclosporine A exposure and medium exhaustion. Toxicol In Vitro. 2009 Apr;23(3):486-99.
• [14] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [15] Cell death mechanisms of the anti-cancer drug etoposide on human cardiomyocytes isolated from pluripotent stem cells. Arch Toxicol. 2018 Apr;92(4):1507-1524.
• [16] Global gene expression analysis reveals differences in cellular responses to hydroxyl- and superoxide anion radical-induced oxidative stress in caco-2 cells. Toxicol Sci. 2010 Apr;114(2):193-203. doi: 10.1093/toxsci/kfp309. Epub 2009 Dec 31.
• [17] Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
• [18] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [19] Effects of 1alpha,25 dihydroxyvitamin D3 and testosterone on miRNA and mRNA expression in LNCaP cells. Mol Cancer. 2011 May 18;10:58.
• [20] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [21] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [22] Oral vitamin D rapidly attenuates inflammation from sunburn: an interventional study. J Invest Dermatol. 2017 Oct;137(10):2078-2086.