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

General Information of Drug (ID: DMBAWDG)

• Drug Name: Thiolactomycin Drug Info
• Synonyms: Antibiotic 2-200; 82079-32-1; (R)-(+)-Thiolactomycin; (+)-Thiolactomycin; BRN 4423670; 4-HYDROXY-3,5-DIMETHYL-5-(2-METHYL-BUTA-1,3-DIENYL)-5H-THIOPHEN-2-ONE; 2(5H)-Thiophenone, 3,5-dimethyl-4-hydroxy-5-(2-methyl-1,3-butadienyl)-, (R-(E))-; (R-(E))-3,5-Dimethyl-4-hydroxy-5-(2-methyl-1,3-butadienyl)-2(5H)-thiophenone; TLM; 2(5H)-Thiophenone, 4-hydroxy-3,5-dimethyl-5-(2-methyl-1,3-butadienyl)-, (S-(E))-; (2R)-5-hydroxy-2,4-dimethyl-2-[(1E)-2-methylbuta-1,3-dienyl]thiophen-3-one; (5R)-Thiolactomycin; 2vb8

Indication

Disease Entry	ICD 11	Status	REF
Malaria	1F40-1F45	Investigative	[1]
Urinary tract infection	GC08	Investigative	[2]

• Cross-matching ID:
  PubChem CID: 135403829
  CAS Number: CAS 82079-32-1
  TTD Drug ID: DMBAWDG

Molecule-Related Drug Atlas

Drug(s) Targeting Plasmodium Enoyl-ACP reductase (Malaria fabI)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Triclosan	DMZUR4N	Malaria	1F40-1F45	Approved	[4]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[5]
Nicotinamide-Adenine-Dinucleotide	DM9LRKB	N. A.	N. A.	Investigative	[6]
Beta-D-Glucose	DM5IHYP	Discovery agent	N.A.	Investigative	[6]
MORIN	DM2OGZ5	Discovery agent	N.A.	Investigative	[7]
3,7,3',4'-TETRAHYDROXYFLAVONE	DMES906	Discovery agent	N.A.	Investigative	[7]
(-)-CATECHINGALLATE	DMZOGSK	Discovery agent	N.A.	Investigative	[7]
GALLOCATECHIN GALLATE	DMX2084	Discovery agent	N.A.	Investigative	[7]
Diazaborines	DM5UFZX	Discovery agent	N.A.	Investigative	[8]
ISORHAMNETIN	DMQ4Z6E	Discovery agent	N.A.	Investigative	[7]

Drug(s) Targeting Bacterial Beta-ketoacyl-ACP synthase III (Bact fabH)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
2-(4-Bromo-3-phenoxy-benzoylamino)-benzoic acid	DMY8GZP	Discovery agent	N.A.	Investigative	[9]
2-(4-Fluoro-3-phenoxy-benzoylamino)-benzoic acid	DMGLEX5	Discovery agent	N.A.	Investigative	[9]
2-Hydroxy-6-(3-phenoxy-benzoylamino)-benzoic acid	DMB3Y8H	Discovery agent	N.A.	Investigative	[9]
2-Tosylnaphthalene-1,4-diol	DM5FHO4	Discovery agent	N.A.	Investigative	[10]
2-(p-tolylthio)naphthalene-1,4-dione	DMON1A5	Discovery agent	N.A.	Investigative	[10]
2-tosylnaphthalene	DM2OUG0	Discovery agent	N.A.	Investigative	[10]
2-(4-propylphenylsulfonyl)naphthalene-1,4-diol	DMXC20R	Discovery agent	N.A.	Investigative	[10]
2-tosylanthracene-1,4-diol	DMOFDVE	Discovery agent	N.A.	Investigative	[10]
2-(4-chlorophenylsulfonyl)naphthalene-1,4-diol	DMJORCV	Discovery agent	N.A.	Investigative	[10]
2-[3-(Pyridin-4-yloxy)-benzoylamino]-benzoic acid	DM5ETL9	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting Bacterial Oxoacyl-[acyl-carrier-protein] synthase II (Bact fabF)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lauric Acid	DM9C8KQ	Discovery agent	N.A.	Investigative	[6]
PLATENSIMYCIN	DM9N0RH	Bacterial infection	1A00-1C4Z	Investigative	[11]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Beta-ketoacyl-ACP synthase I (Bact fabB)	TT0O4QL	FABB_ECOL6	Binder	[1]
Bacterial Beta-ketoacyl-ACP synthase III (Bact fabH)	TTRVTMX	FABH_ECOLI	Binder	[3]
Bacterial Oxoacyl-[acyl-carrier-protein] synthase II (Bact fabF)	TTRFV0W	FABF_ECOLI	Binder	[1]
Plasmodium Enoyl-ACP reductase (Malaria fabI)	TTNX2CS	Q965D5_PLAFA	Inhibitor	[4]

References

• [1] Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.
• [2] The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
• [3] The apicoplast as an antimalarial drug target. Drug Resist Updat. 2001 Jun;4(3):145-51.
• [4] Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.
• [5] Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR). J Med Chem. 2007 Feb 22;50(4):765-75.
• [6] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [7] Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. J Med Chem. 2006 Jun 1;49(11):3345-53.
• [8] Lipid biosynthesis as a target for antibacterial agents. Prog Lipid Res. 2001 Nov;40(6):467-97.
• [9] Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial age... J Med Chem. 2005 Mar 10;48(5):1596-609.
• [10] Synthesis and biological evaluation of novel sulfonyl-naphthalene-1,4-diols as FabH inhibitors. Bioorg Med Chem Lett. 2008 Dec 15;18(24):6402-5.
• [11] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.