Docking experiments

ID	Target	Experiment	Report	Import	Compounds	Poses	Native	Actions
1	T02 Homo sapiens	T02	dockmulti_91311c650f2e_T02	best_by_name inter_strain_penalized · DockingImport:T02	458	3318	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 1
	Homo sapiens PDB 5SD8 Why selected: Useful human reference/off-target control for assessing parasite-selective folate-pathway inhibitors.
2	T03 'ambiguous: archive label suggests Leishmania major, structure title points to Trypanosoma cruzi template'	T03	dockmulti_91311c650f2e_T03	best_by_name inter_strain_penalized · DockingImport:T03	356	3269	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 2
	'ambiguous: archive label suggests Leishmania major, structure title points to Trypanosoma cruzi template' PDB 3CL9 Why selected: Classic antiparasitic folate-pathway target for Leishmania/Trypanosoma programs.
3	T04 Leishmania major	T04	dockmulti_91311c650f2e_T04	best_by_name inter_strain_penalized · DockingImport:T04	329	1992	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 3
	Leishmania major PDB 7PXX Why selected: Important companion target in antiparasitic folate-pathway design because PTR1 can rescue DHFR inhibition.
4	T06 Trypanosoma brucei	T06	dockmulti_91311c650f2e_T06	best_by_name inter_strain_penalized · DockingImport:T06	321	1859	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 4
	Trypanosoma brucei PDB 8RHT Why selected: Parasite DHFR complements PTR1-directed campaigns and helps evaluate dual-target folate-pathway inhibition.
5	T07 Trypanosoma brucei	T07	dockmulti_91311c650f2e_T07	best_by_name inter_strain_penalized · DockingImport:T07	380	2415	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 5
	Trypanosoma brucei PDB 6RX6 Why selected: Important companion target in antiparasitic folate-pathway design because PTR1 can rescue DHFR inhibition.
6	T08 Trypanosoma brucei	T08	dockmulti_91311c650f2e_T08	best_by_name inter_strain_penalized · DockingImport:T08	372	2344	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 6
	Trypanosoma brucei PDB 6RX6 Why selected: Important companion target in antiparasitic folate-pathway design because PTR1 can rescue DHFR inhibition.
7	T09 likely Leishmania major / Leishmania sp. homology model	T09	dockmulti_91311c650f2e_T09	best_by_name inter_strain_penalized · DockingImport:T09	401	2609	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 7
	likely Leishmania major / Leishmania sp. homology model PDB 3CL9-template Why selected: Classic antiparasitic folate-pathway target for Leishmania/Trypanosoma programs.
8	T10 Leishmania infantum	T10	dockmulti_91311c650f2e_T10	best_by_name inter_strain_penalized · DockingImport:T10	121	2710	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 8
	Leishmania infantum PDB 6FXW Why selected: Parasite RpiB differs from the human counterpart and is an attractive antiparasitic metabolism target.
9	T11 Leishmania infantum	T11	dockmulti_91311c650f2e_T11	best_by_name inter_strain_penalized · DockingImport:T11	329	2427	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 9
	Leishmania infantum PDB 5OL0 Why selected: Provides a non-folate target class in kinetoplastids and broadens mechanism diversity in screening.
10	T12 Trypanosoma brucei brucei TREU927	T12	dockmulti_91311c650f2e_T12	best_by_name inter_strain_penalized · DockingImport:T12	149	2506	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 10
	Trypanosoma brucei brucei TREU927 PDB 6FXS Why selected: Parasite RpiB differs from the human counterpart and is an attractive antiparasitic metabolism target.
11	T13 Trypanosoma brucei	T13	dockmulti_91311c650f2e_T13	best_by_name inter_strain_penalized · DockingImport:T13	103	2572	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 11
	Trypanosoma brucei PDB 1F3T Why selected: Validated antitrypanosomal target linked to polyamine metabolism and eflornithine-era target biology.
12	T14 Trypanosoma brucei	T14	dockmulti_91311c650f2e_T14	best_by_name inter_strain_penalized · DockingImport:T14	302	2821	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 12
	Trypanosoma brucei PDB 1NJJ Why selected: Validated antitrypanosomal target linked to polyamine metabolism and eflornithine-era target biology.
13	T15 Trypanosoma brucei	T15	dockmulti_91311c650f2e_T15	best_by_name inter_strain_penalized · DockingImport:T15	470	3799	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 13
	Trypanosoma brucei PDB 9IFF Why selected: Genetically and chemically validated antiparasitic target with multiple ligandable pockets beyond the canonical cofactor site.
14	T16 Trypanosoma brucei	T16	dockmulti_91311c650f2e_T16	best_by_name inter_strain_penalized · DockingImport:T16	461	3957	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 14
	Trypanosoma brucei PDB 6RB5 Why selected: Genetically and chemically validated antiparasitic target with multiple ligandable pockets beyond the canonical cofactor site.
15	T17 Trypanosoma brucei	T17	dockmulti_91311c650f2e_T17	best_by_name inter_strain_penalized · DockingImport:T17	4	3489	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 15
	Trypanosoma brucei PDB 5S9T Why selected: Genetically and chemically validated antiparasitic target with multiple ligandable pockets beyond the canonical cofactor site.
16	T18 Trypanosoma brucei	T18	dockmulti_91311c650f2e_T18	best_by_name inter_strain_penalized · DockingImport:T18	382	2646	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 16
	Trypanosoma brucei PDB 6RB5 Why selected: Genetically and chemically validated antiparasitic target with multiple ligandable pockets beyond the canonical cofactor site.
17	T19 Trypanosoma brucei	T19	dockmulti_91311c650f2e_T19	best_by_name inter_strain_penalized · DockingImport:T19	165	2232	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 17
	Trypanosoma brucei PDB 2WOV Why selected: Genetically and chemically validated antiparasitic target with multiple ligandable pockets beyond the canonical cofactor site.
18	T20 Trypanosoma brucei	T20	dockmulti_91311c650f2e_T20	best_by_name inter_strain_penalized · DockingImport:T20	402	2891	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 18
	Trypanosoma brucei PDB 9IFH Why selected: Genetically and chemically validated antiparasitic target with multiple ligandable pockets beyond the canonical cofactor site.
19	T21 Trypanosoma cruzi	T21	dockmulti_91311c650f2e_T21	best_by_name inter_strain_penalized · DockingImport:T21	277	3046	★ Native ready	Results Priority Chemo analysis ADMET Native pose Protein 19
	Trypanosoma cruzi PDB 3K7O Why selected: Parasite RpiB differs from the human counterpart and is an attractive antiparasitic metabolism target.