Docking experiments

ID	Target	Experiment	Report	Import	Compounds	Poses	Native	Actions
1	T01 Human	T01	selection_import_t01	best_by_name inter_strain_penalized · DockingImport:T01	661	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 1
	Human PDB 5SD8 Protein: Dihydrofolate reductase
2	T02 Human	T02	selection_import_t02	best_by_name inter_strain_penalized · DockingImport:T02	645	677	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 2
	Human PDB 5SD8 Protein: Dihydrofolate reductase
3	T03 L. major	T03	selection_import_t03	best_by_name inter_strain_penalized · DockingImport:T03	648	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 3
	L. major Protein: Dihydrofolate reductase
4	T04 L. major	T04	selection_import_t04	best_by_name inter_strain_penalized · DockingImport:T04	604	677	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 4
	L. major PDB 7PXX Protein: Pteridine reductase 1
5	T05 L. major	T05	selection_import_t05	best_by_name inter_strain_penalized · DockingImport:T05	621	676	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 5
	L. major PDB 7PXX Protein: Pteridine reductase 1
6	T06 T. brucei	T06	selection_import_t06	best_by_name inter_strain_penalized · DockingImport:T06	626	677	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 6
	T. brucei PDB 8RHT Protein: Dihydrofolate reductase
7	T07 T. brucei	T07	selection_import_t07	best_by_name inter_strain_penalized · DockingImport:T07	617	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 7
	T. brucei PDB 6RX6 Protein: Pteridine reductase 1
8	T08 T. brucei	T08	selection_import_t08	best_by_name inter_strain_penalized · DockingImport:T08	643	677	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 8
	T. brucei PDB 6RX6 Protein: Pteridine reductase 1
9	T09 L. major	T09	selection_import_t09	best_by_name inter_strain_penalized · DockingImport:T09	639	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 9
	L. major Protein: DHFR-thymidylate synthase (bifunctional)
10	T10 L. infantum	T10	selection_import_t10	best_by_name inter_strain_penalized · DockingImport:T10	582	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 10
	L. infantum Protein: Ribose-5-phosphate isomerase B
11	T11 L. infantum	T11	selection_import_t11	best_by_name inter_strain_penalized · DockingImport:T11	652	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 11
	L. infantum Protein: Sirtuin 2 (NAD-dependent deacetylase)
12	T12 T. brucei	T12	selection_import_t12	best_by_name inter_strain_penalized · DockingImport:T12	582	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 12
	T. brucei PDB 6FXS Protein: Ribose-5-phosphate isomerase B
13	T13 T. brucei	T13	selection_import_t13	best_by_name inter_strain_penalized · DockingImport:T13	428	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 13
	T. brucei PDB 1F3T Protein: Ornithine decarboxylase Binding site: Active site
14	T14 T. brucei	T14	selection_import_t14	best_by_name inter_strain_penalized · DockingImport:T14	615	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 14
	T. brucei PDB 1NJJ Protein: Ornithine decarboxylase Binding site: G418 binding site
15	T15 T. brucei	T15	selection_import_t15	best_by_name inter_strain_penalized · DockingImport:T15	623	679	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 15
	T. brucei PDB 9IFF Protein: Trypanothione reductase Binding site: Dimer cleft site
16	T16 T. brucei	T16	selection_import_t16	best_by_name inter_strain_penalized · DockingImport:T16	630	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 16
	T. brucei PDB 6RB5 Protein: Trypanothione reductase Binding site: Dimer interface (site 2)
17	T17 T. brucei	T17	selection_import_t17	best_by_name inter_strain_penalized · DockingImport:T17	596	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 17
	T. brucei PDB 5S9T Protein: Trypanothione reductase Binding site: Doorstop site
18	T18 T. brucei	T18	selection_import_t18	best_by_name inter_strain_penalized · DockingImport:T18	652	680	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 18
	T. brucei PDB 6RB5 Protein: Trypanothione reductase Binding site: Mepacrine binding site (MBS, site 1)
19	T19 T. brucei	T19	selection_import_t19	best_by_name inter_strain_penalized · DockingImport:T19	598	678	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 19
	T. brucei PDB 2WOV Protein: Trypanothione reductase Binding site: NADPH binding site
20	T20 T. brucei	T20	selection_import_t20	best_by_name inter_strain_penalized · DockingImport:T20	634	679	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 20
	T. brucei PDB 9IFH Protein: Trypanothione reductase Binding site: Z-site (fragment hotspot)
21	T21 T. cruzi	T21	selection_import_t21	best_by_name inter_strain_penalized · DockingImport:T21	588	680	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 21
	T. cruzi PDB 3K7O Protein: Ribose-5-phosphate isomerase B
22	T22 L. donovani	T22	selection_import_t22	best_by_name inter_strain_penalized · DockingImport:T22	533	680	★ Native ready	Results Priority Target report Chemo analysis ADMET Native pose Protein 22
	L. donovani Protein: Rab5a GTPase