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

General Information of Drug (ID: DM8L9D4)

• Drug Name: Bestatin Drug Info
• Synonyms: Bestatin (TN); CHEBI:3070; UPCMLD-DP116; CHEMBL476869; SureCN25971; Ubenimex (JP16/INN); Ubenimex (JP17/INN); SCHEMBL25971; GTPL5151; AC1L972Z; UPCMLD-DP116:001; DTXSID4048430; CHEBI:140702; ZINC1532730; ZINC01532730; BDBM50010142; AKOS026750073; NCGC00161660-01; C00732; D00087; ((2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl)-D-leucine; (2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid; (2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Acute myeloid leukaemia	2A60	Approved	[1]

• Cross-matching ID:
  PubChem CID: 72172
  CAS Number: CAS 58970-76-6
  TTD Drug ID: DM8L9D4
  VARIDT Drug ID: DR00275

Molecule-Related Drug Atlas

Drug(s) Targeting Leukotriene A-4 hydrolase (LTA4H)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LYS006	DMI17QR	Ulcerative colitis	DD71	Phase 2	[5]
Acebilustat	DM19UTO	Chronic blistering skin disorder	ME63.3	Phase 1	[6]
DG051	DM3I0GS	Myocardial infarction	BA41-BA43	Discontinued in Phase 2	[7]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[8]
JNJ-10392980	DMZH0K8	Discovery agent	N.A.	Investigative	[9]
4-(2-amino-1,3-thiazol-4-yl)phenol	DMH5CAQ	Discovery agent	N.A.	Investigative	[10]
2-(4-phenoxyphenoxy)ethanamine	DM7TBUJ	Discovery agent	N.A.	Investigative	[11]
3-(Benzyloxy)Pyridin-2-Amine	DM35VEI	Discovery agent	N.A.	Investigative	[8]
2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine	DMD2QVO	Discovery agent	N.A.	Investigative	[12]
2-[4-(2-Piperidin-1-ylethyl)phenoxy]benzothiazole	DMMYJ3R	Discovery agent	N.A.	Investigative	[9]

Drug(s) Transported By Peptide transporter 1 (SLC15A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[13]
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[14]
Ampicillin	DMHWE7P	Acute epiglottitis		Approved	[15]
Losartan	DM72JXH	Diabetic kidney disease	GB61.Z	Approved	[16]
Enalapril	DMNFUZR	Congestive heart failure	BD10	Approved	[17]
Cefazolin	DMPDYFR	Bacteremia	1A73	Approved	[18]
Ceftriaxone	DMCEW64	Acute gonococcal cervicitis		Approved	[19]
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[14]
Cefadroxil	DMMC345	Bacterial infection	1A00-1C4Z	Approved	[16]
Irbesartan	DMTP1DC	Diabetic kidney disease	GB61.Z	Approved	[16]

Drug(s) Transported By Peptide transporter 2 (SLC15A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[13]
Ampicillin	DMHWE7P	Acute epiglottitis		Approved	[20]
Enalapril	DMNFUZR	Congestive heart failure	BD10	Approved	[21]
Entecavir	DM7VTQO	Hepatitis B virus infection	1E51.0	Approved	[22]
Cefadroxil	DMMC345	Bacterial infection	1A00-1C4Z	Approved	[23]
Cephalexin	DMD5JU8	Acute otitis media	AB00	Approved	[20]
Valaciclovir	DMHKS94	Genital herpes	1A94	Approved	[24]
Cefaclor	DMJXDGC	Bacterial infection	1A00-1C4Z	Approved	[13]
Aminolevulinic acid hci	DMS4BLQ	Acne vulgaris	ED80	Approved	[25]
Spirapril	DM5XLTY	Hypertension	BA00-BA04	Approved	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_HUMAN	Inhibitor	[2]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Peptide transporter 2 (SLC15A2)	DT8QKNP	S15A2_HUMAN	Substrate	[3]
Peptide transporter 1 (SLC15A1)	DT9G7XN	S15A1_HUMAN	Substrate	[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: 5151).
• [2] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [3] Molecular mechanism of dipeptide and drug transport by the human renal H+/oligopeptide cotransporter hPEPT2. Am J Physiol Renal Physiol. 2008 Jun;294(6):F1422-32.
• [4] Dipeptide transporters in apical and basolateral membranes of the human intestinal cell line Caco-2. Am J Physiol. 1993 Aug;265(2 Pt 1):G289-94.
• [5] Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A(4) Hydrolase. J Med Chem. 2021 Feb 25;64(4):1889-1903.
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] BAY x 1005 attenuates atherosclerosis in apoE/LDLR - double knockout mice. J Physiol Pharmacol. 2007 Sep;58(3):583-8.
• [8] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [9] Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. J Med Chem. 2008 Jul 24;51(14):4150-69.
• [10] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [11] Activation and inhibition of leukotriene A4 hydrolase aminopeptidase activity by diphenyl ether and derivatives. Bioorg Med Chem Lett. 2008 Dec 15;18(24):6549-52.
• [12] Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching. J Med Chem. 2008 Dec 25;51(24):7882-8.
• [13] Interactions of amoxicillin and cefaclor with human renal organic anion and peptide transporters. Drug Metab Dispos. 2006 Apr;34(4):547-55.
• [14] Peptide transporter substrate identification during permeability screening in drug discovery: comparison of transfected MDCK-hPepT1 cells to Caco-2 cells. Arch Pharm Res. 2007 Apr;30(4):507-18.
• [15] Several hPepT1-transported drugs are substrates of the Escherichia coli proton-coupled oligopeptide transporter YdgR. Res Microbiol. 2017 Jun;168(5):443-449.
• [16] High-affinity interaction of sartans with H+/peptide transporters. Drug Metab Dispos. 2009 Jan;37(1):143-9.
• [17] The intestinal H+/peptide symporter PEPT1: structure-affinity relationships. Eur J Pharm Sci. 2004 Jan;21(1):53-60.
• [18] Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1. J Med Chem. 2005 Jun 30;48(13):4410-9.
• [19] Intestinal transport of beta-lactam antibiotics: analysis of the affinity at the H+/peptide symporter (PEPT1), the uptake into Caco-2 cell monolayers and the transepithelial flux. Pharm Res. 1999 Jan;16(1):55-61.
• [20] Transport characteristics of a novel peptide transporter 1 substrate, antihypotensive drug midodrine, and its amino acid derivatives. J Pharmacol Exp Ther. 2006 Jul;318(1):455-60.
• [21] Ethanol inhibits functional activity of the human intestinal dipeptide transporter hPepT1 expressed in Xenopus oocytes. Alcohol Clin Exp Res. 2008 May;32(5):777-84.
• [22] The oligopeptide transporter 2-mediated reabsorption of entecavir in rat kidney. Eur J Pharm Sci. 2014 Feb 14;52:41-7.
• [23] Species Differences in Human and Rodent PEPT2-Mediated Transport of Glycylsarcosine and Cefadroxil in Pichia Pastoris Transformants. Drug Metab Dispos. 2017 Feb;45(2):130-136.
• [24] Valacyclovir: a substrate for the intestinal and renal peptide transporters PEPT1 and PEPT2. Biochem Biophys Res Commun. 1998 May 19;246(2):470-5.
• [25] PEPT2-mediated transport of 5-aminolevulinic acid and carnosine in astrocytes. Brain Res. 2006 Nov 29;1122(1):18-23.
• [26] Transport of angiotensin-converting enzyme inhibitors by H+/peptide transporters revisited. J Pharmacol Exp Ther. 2008 Nov;327(2):432-41.