TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 534.726 | Formula: C34H46O5
H donors: 1 H acceptors: 4 LogP: 6.51 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)CC[C@@H]([C@@H]1CC[C@]2([C@@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C(=O)OCc1ccccc1
InChi: 1S/C34H46O5/c1-31(2)27-13-12-26-25(32(27,3)18-17-28(31)35)16-20-33(4)24(15-19-34(26,33)5)23(11-14-29(36)37)30(38)39-21-22-9-7-6-8-10-22/h6-10,23-24,27H,11-21H2,1-5H3,(H,36,37)/t23-,24-,27-,32+,33-,34+/m0/s1
InChiKey: VHAMUAPHHPFYFH-XDPXTERHSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	peptidylprolyl cis/trans isomerase, NIMA-interacting 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Echinococcus multilocularis	expressed protein	Get druggable targets OG5_128367	All targets in OG5_128367
Trichomonas vaginalis	rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania donovani	peptidyl-prolyl cis-trans isomerase/rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Echinococcus granulosus	expressed protein	Get druggable targets OG5_128367	All targets in OG5_128367
Candida albicans	peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t	Get druggable targets OG5_128367	All targets in OG5_128367
Neospora caninum	peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania braziliensis	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Candida albicans	peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t	Get druggable targets OG5_128367	All targets in OG5_128367
Trichomonas vaginalis	rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_128367	All targets in OG5_128367
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma congolense	peptidyl-prolyl cis-trans isomerase/rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma mansoni	rotamase	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma brucei gambiense	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania mexicana	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Babesia bovis	peptidyl-prolyl cis-trans isomerase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Theileria parva	peptidyl-prolyl cis-trans isomerase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Toxoplasma gondii	peptidylprolyl isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma japonicum	ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative	Get druggable targets OG5_128367	All targets in OG5_128367

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	peptidylprolyl cis/trans isomerase, NIMA-interacting 1	163 aa	133 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0265	0.073
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0018	0.0089	0.0242
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0061	0.0654	0.0652
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0018	0.0089	0.2336
Echinococcus granulosus	mitogen activated protein kinase 14	0.0141	0.1703	0.4736
Echinococcus granulosus	expressed protein	0.004	0.0387	0.107
Brugia malayi	hypothetical protein	0.0031	0.0265	0.0724
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0178	0.2188	0.6017
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0054	0.0142
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0089	0.0239
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0429	0.1188
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0022	0.0144	0.0395
Schistosoma mansoni	adapter molecule crk	0.0022	0.0144	0.0395
Onchocerca volvulus		0.0011	0.0002	0.0011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0429	0.1188
Entamoeba histolytica	hypothetical protein	0.0034	0.0307	0.8194
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0061	0.0654	0.0652
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0429	0.118
Brugia malayi	hypothetical protein	0.0018	0.0089	0.0239
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0141	0.1703	0.1701
Schistosoma mansoni	hypothetical protein	0.0015	0.0054	0.0144
Echinococcus multilocularis	tyrosine kinase	0.0018	0.0089	0.0087
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0018	0.0089	0.0087
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0175	0.2154	0.2152
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0061
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0089	0.0239
Schistosoma mansoni	hypothetical protein	0.0031	0.0265	0.0732
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0179	0.2212	0.221
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Brugia malayi	Protein kinase domain containing protein	0.0288	0.3636	1
Entamoeba histolytica	protein kinase, putative	0.0013	0.0029	0.0719
Schistosoma mansoni	serine/threonine protein kinase	0.0178	0.2188	0.6087
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.005	0.0512	0.1419
Schistosoma mansoni	nck2/grb4	0.0022	0.0144	0.0395
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0054	0.0052
Loa Loa (eye worm)	TK/FAK protein kinase	0.0288	0.3636	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0429	0.0427
Onchocerca volvulus		0.0011	0.0002	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Schistosoma mansoni	tyrosine kinase	0.0285	0.3593	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0022	0.0144	0.0397
Echinococcus granulosus	c src tyrosine kinase	0.0029	0.0231	0.0637
Echinococcus granulosus	protein tyrosine kinase	0.0285	0.3593	1
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0089	0.0239
Echinococcus granulosus	NCK adaptor protein	0.0022	0.0144	0.0395
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0178	0.2188	0.6087
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Echinococcus granulosus	tyrosine protein kinase HCK	0.0039	0.0366	0.1014
Echinococcus granulosus	tyrosine protein kinase Srms	0.0018	0.0089	0.0242
Entamoeba histolytica	hypothetical protein	0.0034	0.0307	0.8194
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0387	1
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0178	0.2188	0.6017
Schistosoma mansoni	growth factor receptor-bound protein	0.0022	0.0144	0.0395
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0141	0.1703	1
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0141	0.1703	1
Onchocerca volvulus		0.0031	0.0265	0.1213
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0061	0.0654	0.1815
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0054	0.0144
Schistosoma mansoni	protein kinase	0.0179	0.2212	0.6156
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0012	0.0019	0.0045
Schistosoma mansoni	hypothetical protein	0.0032	0.0283	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Onchocerca volvulus		0.0011	0.0002	0.0011
Echinococcus granulosus	GPCR family 2	0.0015	0.0054	0.0144
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0086	0.0232
Onchocerca volvulus		0.0018	0.0089	0.0408
Echinococcus multilocularis	tyrosine protein kinase shark	0.0018	0.0089	0.0087
Echinococcus multilocularis	expressed protein	0.004	0.0387	0.0384
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0018	0.0089	0.0087
Echinococcus multilocularis	tyrosine protein kinase Srms	0.005	0.0512	0.051
Schistosoma mansoni	serine/threonine protein kinase	0.0146	0.1774	0.4935
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0061	0.0654	0.0652
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0039	0.0374	0.2114
Loa Loa (eye worm)	CMGC/CDK/CDK8 protein kinase	0.0146	0.1774	0.488
Brugia malayi	hypothetical protein	0.021	0.2612	0.7183
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0429	0.1188
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0061	0.0654	0.1815
Schistosoma mansoni	tyrosine kinase	0.0029	0.0231	0.0637
Echinococcus granulosus	MAM	0.0031	0.0265	0.0732
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0012	0.0019	0.0045
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0061	0.0654	0.0652
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0034	0.0307	0.0848
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0141	0.1703	0.1701
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Schistosoma mansoni	hypothetical protein	0.0015	0.0054	0.0144
Schistosoma mansoni	hypothetical protein	0.0031	0.0265	0.0732
Loa Loa (eye worm)	SRC-1	0.0061	0.0654	0.1798
Onchocerca volvulus		0.0011	0.0002	0.0011
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0175	0.2154	0.5994
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0054	0.0149
Echinococcus granulosus	cyclin dependent kinase 19	0.0146	0.1774	0.4935
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Entamoeba histolytica	hypothetical protein	0.0012	0.0019	0.0436
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0012	0.0019	0.0016
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0011	0.0002	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0283	0.0779
Echinococcus multilocularis	MAM	0.0031	0.0265	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0047	0.048	0.1316
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0011	0.0002	0.0007
Echinococcus multilocularis	cyclin dependent kinase 19	0.0146	0.1774	0.1772
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0039	0.0374	0.2114
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0141	0.1703	0.1701
Trichomonas vaginalis	rotamase, putative	0.004	0.0387	1
Loa Loa (eye worm)	TK protein kinase	0.005	0.0512	0.1408
Schistosoma mansoni	rotamase	0.004	0.0387	0.107
Loa Loa (eye worm)	TK/ABL protein kinase	0.0018	0.0089	0.0245
Onchocerca volvulus		0.0031	0.0265	0.1213
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.005	0.0512	0.051
Loa Loa (eye worm)	TK protein kinase	0.0039	0.0366	0.1008
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0061	0.0654	0.0652
Brugia malayi	Guanylate kinase family protein	0.0013	0.0028	0.007
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0054	0.0052
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0043	0.0425	0.1178
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0054	0.0149
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0061	0.0654	0.1815
Echinococcus granulosus	tyrosine kinase	0.0018	0.0089	0.0242
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0141	0.1703	1
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0141	0.1703	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0029	0.0231	0.0637
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0141	0.1703	0.1701
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0018	0.0089	0.0242
Loa Loa (eye worm)	SH2 domain-containing protein	0.0011	0.0002	0.0007
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0013	0.0022	0.0061
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0179	0.2212	0.6156
Toxoplasma gondii	peptidylprolyl isomerase	0.0039	0.0374	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0061	0.0654	0.0652
Schistosoma mansoni	hypothetical protein	0.0015	0.0054	0.0144
Echinococcus granulosus	growth factor receptor bound protein 2	0.0022	0.0144	0.0395
Echinococcus granulosus	tyrosine protein kinase Blk	0.005	0.0512	0.1419
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0034	0.0307	0.0305
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0061	0.0654	0.1815
Onchocerca volvulus		0.0015	0.0055	0.025
Onchocerca volvulus		0.0018	0.0089	0.0408
Brugia malayi	protein-tyrosine kinase	0.005	0.0512	0.1402
Echinococcus granulosus	mitogen activated protein kinase 11	0.0141	0.1703	0.4736
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0047	0.048	0.1321
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.004	0.0387	0.1063
Schistosoma mansoni	vav2	0.0013	0.0022	0.0055
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0054	0.0142
Schistosoma mansoni	tyrosine kinase	0.0164	0.2012	0.5599
Brugia malayi	Variant SH3 domain containing protein	0.0022	0.0144	0.0391
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0047	0.048	0.1316
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0039	0.0374	0.2114
Brugia malayi	Protein kinase domain containing protein	0.0266	0.3355	0.9226
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0054	0.0052
Schistosoma mansoni	tyrosine kinase	0.0061	0.0654	0.1815
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0178	0.2188	0.6014
Brugia malayi	Protein kinase domain containing protein	0.0146	0.1774	0.4876
Brugia malayi	SRC-1	0.0061	0.0654	0.1793
Loa Loa (eye worm)	SH2 domain-containing protein	0.0011	0.0002	0.0007
Schistosoma mansoni	growth factor receptor-bound protein	0.0022	0.0144	0.0395
Schistosoma mansoni	transcription factor LCR-F1	0.0034	0.0307	0.0848
Loa Loa (eye worm)	SH2 domain-containing protein	0.0011	0.0002	0.0007
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Loa Loa (eye worm)	TK/ALK protein kinase	0.0266	0.3354	0.9224
Brugia malayi	Variant SH3 domain containing protein	0.0022	0.0144	0.0391
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0029	0.0231	0.0229
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0061	0.0654	0.0652
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0089	0.0239
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0039	0.0374	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.2858	0.7861
Schistosoma mansoni	tyrosine kinase	0.0029	0.0231	0.0637
Echinococcus multilocularis	protein tyrosine kinase	0.0285	0.3593	0.3591
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0011	0.0002	0.0007
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Brugia malayi	SH2 domain containing protein	0.0018	0.0089	0.0239
Entamoeba histolytica	protein kinase, putative	0.0039	0.0366	0.9797
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0011	0.0002	0.0011
Brugia malayi	Serine/threonine-protein kinase SULU	0.021	0.2612	0.7183
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0061	0.0654	0.0652
Loa Loa (eye worm)	STAT protein	0.0011	0.0002	0.0007
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0089	0.0239
Entamoeba histolytica	hypothetical protein	0.0034	0.0307	0.8194
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0061	0.0654	0.1815
Brugia malayi	P38 map kinase family protein 2	0.0141	0.1703	0.4679
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0265	0.073
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0178	0.2188	1
Brugia malayi	hypothetical protein	0.0034	0.0307	0.0838
Echinococcus granulosus	serine:threonine protein kinase TAO1	0.021	0.2612	0.727
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0429	0.1174
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0013	0.0029	0.0719
Wolbachia endosymbiont of Brugia malayi	parvulin-like peptidyl-prolyl isomerase, PPID	0.0012	0.0018	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0144	0.0397
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0061	0.0654	0.1815
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0265	0.073
Onchocerca volvulus		0.0018	0.0089	0.0408
Brugia malayi	Protein kinase domain containing protein	0.0178	0.2188	0.6014
Schistosoma mansoni	protein kinase	0.0179	0.2212	0.6156
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0022	0.0144	0.0142
Schistosoma mansoni	serine/threonine protein kinase	0.021	0.2612	0.727
Brugia malayi	Sex muscle abnormal protein 5	0.0022	0.0144	0.0391
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0141	0.1703	0.4683
Loa Loa (eye worm)	gastrulation defective protein 1	0.0144	0.1748	0.4806
Schistosoma mansoni	tyrosine kinase	0.0061	0.0654	0.1815
Schistosoma mansoni	hypothetical protein	0.0015	0.0054	0.0144
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0039	0.0366	0.0364
Loa Loa (eye worm)	guanylate kinase	0.0013	0.0028	0.0077
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0063	0.0681	0.1889
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0011	0.0002	0.0011
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.004	0.0387	0.1057
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0061	0.0654	0.0652
Onchocerca volvulus		0.0018	0.0089	0.0408
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0429	0.1188
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0429	0.0427
Brugia malayi	latrophilin 2 splice variant baaae	0.0032	0.0283	0.0773
Onchocerca volvulus		0.0018	0.0089	0.0408
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0061	0.0654	0.1815
Onchocerca volvulus		0.0018	0.0089	0.0408
Echinococcus multilocularis	NCK adaptor protein	0.0022	0.0144	0.0142
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Echinococcus granulosus	tyrosine protein kinase shark	0.0018	0.0089	0.0242
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0054	0.0144
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0429	0.1188
Brugia malayi	Peripheral plasma membrane protein CASK	0.0013	0.0028	0.007
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0178	0.2188	0.2186
Schistosoma mansoni	tyrosine kinase	0.0018	0.0089	0.0242
Echinococcus multilocularis	serine:threonine protein kinase TAO1	0.021	0.2612	0.261
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0043	0.0425	0.0423
Brugia malayi	SH2 domain containing protein	0.0018	0.0089	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Loa Loa (eye worm)	TK/FER protein kinase	0.0018	0.0089	0.0245
Entamoeba histolytica	hypothetical protein	0.0034	0.0307	0.8194
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0089	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0007
Onchocerca volvulus		0.0011	0.0002	0.0011
Echinococcus granulosus	tyrosine kinase	0.005	0.0512	0.1419
Onchocerca volvulus		0.0011	0.0002	0.0011
Echinococcus multilocularis	tyrosine protein kinase Blk	0.005	0.0512	0.051
Brugia malayi	Tyrosine-protein kinase abl-1	0.0029	0.0231	0.063
Brugia malayi	Variant SH3 domain containing protein	0.0013	0.0022	0.0055
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0047	0.048	0.1321
Schistosoma mansoni	hypothetical protein	0.0034	0.0307	0.0848
Echinococcus multilocularis	c src tyrosine kinase	0.0029	0.0231	0.0229
Loa Loa (eye worm)	STE/STE20/TAO protein kinase	0.021	0.2612	0.7185
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0022	0.0144	0.0397
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0039	0.0374	0.2114

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.68 uM	Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate after 30 mins by protease-coupled assay	ChEMBL.	25466185

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL3357846

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 946186