BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
200498	OC[C@H]1CNC[C@@H](O)[C@@H]1O	InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1	QPYJXFZUIJOGNX-HSUXUTPPSA-N	50182801	(3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8::(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol::5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE::AFEGOSTAT TARTRATE::CHEMBL206468::D-Isofagomine::US10081601, Example 1.1::US9796680, Example Table2.1::isofagomine	Trehalose synthase/amylase TreS	Mycobacterium tuberculosis	 1.40e+5								Curated from the literature by BindingDB	10.1074/jbc.M111.280362	10.7270/Q2VM49V1	21840994	aid1799775		Zhang, R; Pan, YT; He, S; Lam, M; Brayer, GD; Elbein, AD; Withers, SG	University of British Columbia	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182801	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5150&target=Trehalose+synthase%2Famylase+TreS&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182801&enzyme=Trehalose+synthase%2Famylase+TreS&column=ki&startPg=0&Increment=50&submit=Search	IFM	4D4D,1UP2,3GXF,1OCN,1OCQ,6ZFA,6ZJ6,4V27,3QFY,2G9V,5H41,6ZDL,4ZOA,1OIF,4IIC,3WH8,4RE4,4AD4,4AD2,2NSX,4KTR,4UTF,4CD7,4CD6,4CD4,7LOU	447607	104067416		CHEMBL206468	DB04545			ZINC03813668	1	MNEAEHSVEHPPVQGSHVEGGVVEHPDAKDFGSAAALPADPTWFKHAVFYEVLVRAFFDASADGSGDLRGLIDRLDYLQWLGIDCIWLPPFYDSPLRDGGYDIRDFYKVLPEFGTVDDFVALVDAAHRRGIRIITDLVMNHTSESHPWFQESRRDPDGPYGDYYVWSDTSERYTDARIIFVDTEESNWSFDPVRRQFYWHRFFSHQPDLNYDNPAVQEAMIDVIRFWLGLGIDGFRLDAVPYLFEREGTNCENLPETHAFLKRVRKVVDDEFPGRVLLAEANQWPGDVVEYFGDPNTGGDECHMAFHFPLMPRIFMAVRRESRFPISEIIAQTPPIPDMAQWGIFLRNHDELTLEMVTDEERDYMYAEYAKDPRMKANVGIRRRLAPLLDNDRNQIELFTALLLSLPGSPVLYYGDEIGMGDVIWLGDRDGVRIPMQWTPDRNAGFSTANPGRLYLPPSQDPVYGYQAVNVEAQRDTSTSLLNFTRTMLAVRRRHPAFAVGAFQELGGSNPSVLAYVRQVAGDDGDTVLCVNNLSRFPQPIELDLQQWTNYTPVELTGHVEFPRIGQVPYLLTLPGHGFYWFQLTTHEVGAPPTCGGERRL	3ZO9,3ZOA,4LXF,5JY7	Trehalose synthase/amylase TreS	TRES_MYCTO	P9WQ18	L0T5R2 O07176 Q7DAF7						
200499	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O	InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	LXBIFEVIBLOUGU-JGWLITMVSA-N	18351	(2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-triol, 10::(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol::1-Deoxynojirimycin::1-deoxynojirimycin (DNJ)::CHEMBL307429::US9181184, 1::dNM	Trehalose synthase/amylase TreS	Mycobacterium tuberculosis	 2.5e+2								Curated from the literature by BindingDB	10.1074/jbc.M111.280362	10.7270/Q2VM49V1	21840994	aid1799775		Zhang, R; Pan, YT; He, S; Lam, M; Brayer, GD; Elbein, AD; Withers, SG	University of British Columbia	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18351	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5150&target=Trehalose+synthase%2Famylase+TreS&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18351&enzyme=Trehalose+synthase%2Famylase+TreS&column=ki&startPg=0&Increment=50&submit=Search	DNJ	1DIE,1DOG,1I75,1OIM,2J77,2JKE,2PWD,3GBE,3GXT	29435	46518429	44369	CHEMBL307429		4642	C16843	ZINC03794714	1	MNEAEHSVEHPPVQGSHVEGGVVEHPDAKDFGSAAALPADPTWFKHAVFYEVLVRAFFDASADGSGDLRGLIDRLDYLQWLGIDCIWLPPFYDSPLRDGGYDIRDFYKVLPEFGTVDDFVALVDAAHRRGIRIITDLVMNHTSESHPWFQESRRDPDGPYGDYYVWSDTSERYTDARIIFVDTEESNWSFDPVRRQFYWHRFFSHQPDLNYDNPAVQEAMIDVIRFWLGLGIDGFRLDAVPYLFEREGTNCENLPETHAFLKRVRKVVDDEFPGRVLLAEANQWPGDVVEYFGDPNTGGDECHMAFHFPLMPRIFMAVRRESRFPISEIIAQTPPIPDMAQWGIFLRNHDELTLEMVTDEERDYMYAEYAKDPRMKANVGIRRRLAPLLDNDRNQIELFTALLLSLPGSPVLYYGDEIGMGDVIWLGDRDGVRIPMQWTPDRNAGFSTANPGRLYLPPSQDPVYGYQAVNVEAQRDTSTSLLNFTRTMLAVRRRHPAFAVGAFQELGGSNPSVLAYVRQVAGDDGDTVLCVNNLSRFPQPIELDLQQWTNYTPVELTGHVEFPRIGQVPYLLTLPGHGFYWFQLTTHEVGAPPTCGGERRL	3ZO9,3ZOA,4LXF,5JY7	Trehalose synthase/amylase TreS	TRES_MYCTO	P9WQ18	L0T5R2 O07176 Q7DAF7						
200500	OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O)CN12	InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1	AXTGOJVKRHFYBT-XAZAIFFQSA-N	92460	Casuarine	Trehalose synthase/amylase TreS	Mycobacterium tuberculosis	 2.5e+3								Curated from the literature by BindingDB	10.1074/jbc.M111.280362	10.7270/Q2VM49V1	21840994	aid1799775		Zhang, R; Pan, YT; He, S; Lam, M; Brayer, GD; Elbein, AD; Withers, SG	University of British Columbia	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92460	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5150&target=Trehalose+synthase%2Famylase+TreS&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92460&enzyme=Trehalose+synthase%2Famylase+TreS&column=ki&startPg=0&Increment=50&submit=Search	3CU	3CTT,2JJB	9859098	160844957						ZINC33994132	1	MNEAEHSVEHPPVQGSHVEGGVVEHPDAKDFGSAAALPADPTWFKHAVFYEVLVRAFFDASADGSGDLRGLIDRLDYLQWLGIDCIWLPPFYDSPLRDGGYDIRDFYKVLPEFGTVDDFVALVDAAHRRGIRIITDLVMNHTSESHPWFQESRRDPDGPYGDYYVWSDTSERYTDARIIFVDTEESNWSFDPVRRQFYWHRFFSHQPDLNYDNPAVQEAMIDVIRFWLGLGIDGFRLDAVPYLFEREGTNCENLPETHAFLKRVRKVVDDEFPGRVLLAEANQWPGDVVEYFGDPNTGGDECHMAFHFPLMPRIFMAVRRESRFPISEIIAQTPPIPDMAQWGIFLRNHDELTLEMVTDEERDYMYAEYAKDPRMKANVGIRRRLAPLLDNDRNQIELFTALLLSLPGSPVLYYGDEIGMGDVIWLGDRDGVRIPMQWTPDRNAGFSTANPGRLYLPPSQDPVYGYQAVNVEAQRDTSTSLLNFTRTMLAVRRRHPAFAVGAFQELGGSNPSVLAYVRQVAGDDGDTVLCVNNLSRFPQPIELDLQQWTNYTPVELTGHVEFPRIGQVPYLLTLPGHGFYWFQLTTHEVGAPPTCGGERRL	3ZO9,3ZOA,4LXF,5JY7	Trehalose synthase/amylase TreS	TRES_MYCTO	P9WQ18	L0T5R2 O07176 Q7DAF7