TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 980.078 | Formula: C36H61N13O15S2
H donors: 16 H acceptors: 15 LogP: -8.18 Rotable bonds: 20
Rule of 5 violations (Lipinski): 4
SMILES: OC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)[C@H](O)C)CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N)CCC(=O)O
InChi: 1S/C36H61N13O15S2/c1-15(2)9-20-32(61)48-23(30(59)42-11-24(52)43-18(28(38)57)6-7-25(53)54)14-66-65-13-17(37)29(58)44-19(5-4-8-41-36(39)40)31(60)47-22(12-50)34(63)45-21(10-26(55)56)33(62)49-27(16(3)51)35(64)46-20/h15-23,27,50-51H,4-14,37H2,1-3H3,(H2,38,57)(H,42,59)(H,43,52)(H,44,58)(H,45,63)(H,46,64)(H,47,60)(H,48,61)(H,49,62)(H,53,54)(H,55,56)(H4,39,40,41)/t16-,17+,18+,19+,20+,21+,22-,23+,27-/m1/s1
InChiKey: BJHHYFPDNPOTHE-FWBZFDCVSA-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	integrin, beta 7	Starlite/ChEMBL	References
Homo sapiens	integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61)	Starlite/ChEMBL	References
Homo sapiens	integrin, beta 1 (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Integrin beta-PS precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	integrin beta-2	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus multilocularis	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma mansoni	integrin beta subunit	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-3 precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	ko:K06464 integrin beta 2, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus granulosus	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Brugia malayi	Integrin beta pat-3 precursor	Get druggable targets OG5_127959	All targets in OG5_127959

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0235	0.0153	0.0103
Brugia malayi	Integrin beta pat-3 precursor	0.1093	0.2715	0.2715
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0235	0.0153	0.0024
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0227	0.0129	0.0079
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0235	0.0153	0.0024
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.3531	1	1
Giardia lamblia	Cathepsin L precursor	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.0153	0.0024
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0235	0.0153	0.0103
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.075	0.1693	0.3231
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0235	0.0153	0.0024
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0235	0.0153	0.0024
Trypanosoma cruzi	lanosterol synthase, putative	0.0227	0.0129	0.0154
Trypanosoma cruzi	cysteine peptidase, putative	0.1046	0.2576	0.497
Trypanosoma cruzi	cysteine peptidase, putative	0.1046	0.2576	0.497
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1046	0.2576	0.2479
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0564	0.1135	0.4294
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0915	0.2186	0.2083
Brugia malayi	Cathepsin L-like precursor	0.1046	0.2576	0.2576
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0235	0.0153	0.0024
Trypanosoma cruzi	major cysteine proteinase, putative	0.0235	0.0153	0.0201
Entamoeba histolytica	cysteine protease, putative	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1046	0.2576	0.2479
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0235	0.0153	0.0153
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0564	0.1135	0.1019
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0235	0.0153	0.0103
Brugia malayi	Papain family cysteine protease containing protein	0.0564	0.1135	0.1135
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.0153	0.0024
Giardia lamblia	Cathepsin B precursor	0.0235	0.0153	0.0024
Brugia malayi	Papain family cysteine protease containing protein	0.0235	0.0153	0.0153
Plasmodium vivax	vivapain-1	0.0564	0.1135	0.1019
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0227	0.0129	1
Trypanosoma cruzi	prolyl endopeptidase	0.0294	0.033	0.055
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0235	0.0153	0.0103
Plasmodium falciparum	serine repeat antigen 6	0.0235	0.0153	0.0024
Echinococcus granulosus	cathepsin l1	0.0717	0.1594	0.1551
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0915	0.2186	0.2186
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.075	0.1693	0.1584
Onchocerca volvulus	Cathepsin F homolog	0.1046	0.2576	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0564	0.1135	0.2134
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0227	0.0129	0.0079
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0564	0.1135	0.1019
Trichomonas vaginalis	conserved hypothetical protein	0.0235	0.0153	0.0024
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0227	0.0129	0.0129
Entamoeba histolytica	cysteine protease, putative	0.0235	0.0153	0.0024
Brugia malayi	cathepsin L-like precursor	0.0717	0.1594	0.1594
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.0153	0.0024
Toxoplasma gondii	hypothetical protein	0.2616	0.7265	1
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0915	0.2186	0.2146
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0915	0.2186	0.8454
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0545	0.1079	0.1034
Plasmodium falciparum	cysteine proteinase falcipain 3	0.1046	0.2576	0.2479
Echinococcus granulosus	cathepsin l1	0.1046	0.2576	0.2538
Echinococcus multilocularis	cathepsin b	0.1902	0.5132	0.5107
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0294	0.033	0.1106
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0153	0.0153
Loa Loa (eye worm)	ctsf protein	0.1046	0.2576	0.2576
Giardia lamblia	Rab geranylgeranyltransferase	0.3531	1	1
Onchocerca volvulus		0.1046	0.2576	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0227	0.0129	0.0154
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1046	0.2576	0.2479
Onchocerca volvulus		0.1046	0.2576	1
Brugia malayi	Cathepsin L-like precursor	0.1046	0.2576	0.2576
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0227	0.0129	0.0079
Giardia lamblia	Cathepsin L precursor	0.0235	0.0153	0.0024
Plasmodium falciparum	serine repeat antigen 8	0.0235	0.0153	0.0024
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0235	0.0153	0.0024
Plasmodium vivax	unspecified product	0.0235	0.0153	0.0024
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1902	0.5132	0.5107
Echinococcus granulosus	cathepsin L cysteine protease	0.0564	0.1135	0.109
Trypanosoma cruzi	hypothetical protein, conserved	0.0915	0.2186	0.4201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.0153	0.0024
Giardia lamblia	Cathepsin L-like protease	0.0235	0.0153	0.0024
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0227	0.0129	0.0079
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0915	0.2186	0.2146
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0227	0.0129	0.0129
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.0227	0.0129	0.0154
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0915	0.2186	0.2186
Giardia lamblia	Cathepsin L precursor	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0235	0.0153	0.0024
Leishmania major	cathepsin L-like protease	0.1046	0.2576	1
Giardia lamblia	Encystation-specific protease	0.0235	0.0153	0.0024
Toxoplasma gondii	cathepsin CPL	0.1046	0.2576	0.35
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1902	0.5132	0.5107
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0235	0.0153	0.0024
Echinococcus multilocularis	cathepsin L cysteine protease	0.1046	0.2576	0.2538
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0153	0.0153
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Toxoplasma gondii	hypothetical protein	0.0915	0.2186	0.2959
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0499	0.0943	0.1236
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Loa Loa (eye worm)	hypothetical protein	0.1902	0.5132	0.5132
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0915	0.2186	0.2146
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0235	0.0153	0.0024
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.3531	1	1
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.3531	1	1
Schistosoma mansoni	cathepsin C	0.0235	0.0153	0.0103
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0235	0.0153	0.0024
Entamoeba histolytica	cysteine proteinase, putative	0.0564	0.1135	0.1019
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.1046	0.2576	0.2576
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1046	0.2576	0.2479
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.1495	0.3917	0.3886
Brugia malayi	Cathepsin L-like precursor	0.1046	0.2576	0.2576
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Plasmodium falciparum	serine repeat antigen 2	0.0235	0.0153	0.0024
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0235	0.0153	0.0103
Echinococcus multilocularis	cysteine protease	0.1046	0.2576	0.2538
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.0227	0.0129	0.031
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1902	0.5132	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1046	0.2576	0.2479
Plasmodium falciparum	serine repeat antigen 3	0.0235	0.0153	0.0024
Leishmania major	cathepsin L-like protease	0.1046	0.2576	1
Entamoeba histolytica	cysteine protease, putative	0.0235	0.0153	0.0024
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0564	0.1135	0.2134
Entamoeba histolytica	cysteine proteinase, putative	0.1046	0.2576	0.2479
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0564	0.1135	0.109
Echinococcus granulosus	integrin beta 2	0.0897	0.2129	0.2089
Leishmania major	cathepsin L-like protease	0.1046	0.2576	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0235	0.0153	0.0103
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1046	0.2576	0.2538
Echinococcus granulosus	cathepsin L	0.0235	0.0153	0.0103
Trypanosoma cruzi	cysteine peptidase, putative	0.1046	0.2576	0.497
Leishmania major	cathepsin L-like protease	0.1046	0.2576	1
Plasmodium falciparum	serine repeat antigen 7	0.0235	0.0153	0.0024
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0235	0.0153	0.0103
Onchocerca volvulus		0.0717	0.1594	0.5946
Loa Loa (eye worm)	cathepsin B	0.075	0.1693	0.1693
Giardia lamblia	Cathepsin B precursor	0.0235	0.0153	0.0024
Giardia lamblia	Cathepsin B precursor	0.075	0.1693	0.1584
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0235	0.0153	0.0024
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0235	0.0153	0.0024
Trypanosoma cruzi	cysteine peptidase, putative	0.0564	0.1135	0.2134
Giardia lamblia	Cathepsin B precursor	0.0235	0.0153	0.0024
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.1495	0.3917	0.3838
Trypanosoma cruzi	cysteine peptidase, putative	0.1046	0.2576	0.497
Echinococcus multilocularis	prolyl endopeptidase	0.0294	0.033	0.0281
Leishmania major	geranylgeranyltransferase, putative	0.0227	0.0129	0.031
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0235	0.0153	0.0103
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.1495	0.3917	0.3886
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0329	0.0433	0.0433
Toxoplasma gondii	cathepsin CPC2	0.0235	0.0153	0.0141
Plasmodium falciparum	serine repeat antigen 5	0.0235	0.0153	0.0024
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0915	0.2186	0.2083
Trypanosoma cruzi	cysteine protease, putative	0.0564	0.1135	0.2134
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0235	0.0153	0.0024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.075	0.1693	0.6502
Giardia lamblia	Cathepsin L precursor	0.0235	0.0153	0.0024
Brugia malayi	prolyl oligopeptidase family protein	0.0201	0.0051	0.0051
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.0153	0.0024
Echinococcus multilocularis	cathepsin L	0.0564	0.1135	0.109
Echinococcus granulosus	cathepsin b	0.1902	0.5132	0.5107
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.1046	0.2576	0.2576
Giardia lamblia	Cathepsin L precursor	0.0235	0.0153	0.0024
Plasmodium vivax	unspecified product	0.0564	0.1135	0.1019
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.075	0.1693	0.165
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0294	0.033	0.0281
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0227	0.0129	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0235	0.0153	0.0024
Entamoeba histolytica	cysteine proteinase, putative	0.0564	0.1135	0.1019
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Giardia lamblia	Cathepsin L-like protease	0.0235	0.0153	0.0024
Onchocerca volvulus		0.1046	0.2576	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0235	0.0153	0.0153
Entamoeba histolytica	cysteine protease, putative	0.0235	0.0153	0.0024
Brugia malayi	Cathepsin L-like precursor	0.1046	0.2576	0.2576
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.1495	0.3917	0.3917
Plasmodium vivax	vivapain-2	0.1046	0.2576	0.2479
Schistosoma mansoni	cathepsin F (C01 family)	0.0717	0.1594	0.1551
Giardia lamblia	Hypothetical protein	0.0235	0.0153	0.0024
Schistosoma mansoni	cathepsin s	0.0329	0.0433	0.0384
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.0153	0.0024
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.1046	0.2576	0.2479
Giardia lamblia	Cathepsin L precursor	0.0235	0.0153	0.0024
Entamoeba histolytica	cysteine protease, putative	0.0235	0.0153	0.0024
Brugia malayi	Cathepsin L-like precursor	0.0329	0.0433	0.0433
Echinococcus granulosus	cathepsin b	0.1902	0.5132	0.5107
Trypanosoma brucei	prolyl endopeptidase	0.0294	0.033	0.1106
Trypanosoma brucei	hypothetical protein, conserved	0.0915	0.2186	0.8454
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0227	0.0129	0.031
Schistosoma mansoni	cathepsin F (C01 family)	0.1046	0.2576	0.2538
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0915	0.2186	0.8454
Echinococcus granulosus	cathepsin l cysteine peptidase	0.1046	0.2576	0.2538
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0915	0.2186	0.2146
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.3531	1	1
Loa Loa (eye worm)	hypothetical protein	0.0329	0.0433	0.0433
Brugia malayi	Cathepsin L-like precursor	0.0717	0.1594	0.1594
Onchocerca volvulus		0.0915	0.2186	0.8389
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.3531	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0235	0.0153	0.0024
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0235	0.0153	0.0103
Schistosoma mansoni	cathepsin S (C01 family)	0.0235	0.0153	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0153	0.0153
Toxoplasma gondii	cathepsin B	0.075	0.1693	0.2276
Plasmodium vivax	unspecified product	0.0329	0.0433	0.0308
Entamoeba histolytica	cysteine proteinase, putative	0.1046	0.2576	0.2479
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0235	0.0153	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0227	0.0129	0.0129
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0717	0.1594	0.1484
Entamoeba histolytica	hypothetical protein	0.0235	0.0153	0.0024
Toxoplasma gondii	prolyl endopeptidase	0.0294	0.033	0.0387
Brugia malayi	Cathepsin L-like precursor	0.0717	0.1594	0.1594
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.3531	1	1
Brugia malayi	prolyl oligopeptidase family protein	0.0545	0.1079	0.1079
Plasmodium vivax	vivapain-2	0.1046	0.2576	0.2479
Plasmodium vivax	serine-repeat antigen (SERA)	0.0235	0.0153	0.0024
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0915	0.2186	0.8454
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0235	0.0153	0.0024
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0227	0.0129	0.0108
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0329	0.0433	0.0433
Brugia malayi	cathepsin F-like cysteine proteinase	0.0329	0.0433	0.0433
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1902	0.5132	0.5107
Plasmodium vivax	vivapain-3	0.0564	0.1135	0.1019
Brugia malayi	prolyl oligopeptidase family protein	0.0294	0.033	0.033
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0227	0.0129	0.0108
Entamoeba histolytica	cysteine proteinase, putative	0.0717	0.1594	0.1484
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0915	0.2186	0.8454
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.1495	0.3917	0.3886
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.0153	0.0024
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0564	0.1135	0.109
Entamoeba histolytica	cysteine protease, putative	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1046	0.2576	0.2479
Trypanosoma cruzi	hypothetical protein, conserved	0.0227	0.0129	0.0154
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0235	0.0153	0.0141
Giardia lamblia	Cysteine protease	0.0235	0.0153	0.0024
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.3531	1	1
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0153	0.0153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0235	0.0153	0.0024
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0717	0.1594	0.3036
Onchocerca volvulus		0.1046	0.2576	1
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.3531	1	1
Loa Loa (eye worm)	hypothetical protein	0.0717	0.1594	0.1594
Brugia malayi	fibroinase precursor	0.0235	0.0153	0.0153
Echinococcus multilocularis	cathepsin b	0.1902	0.5132	0.5107
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Echinococcus granulosus	cysteine protease	0.0564	0.1135	0.109
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0717	0.1594	0.1594
Trypanosoma cruzi	cruzipain precursor, putative	0.1046	0.2576	0.497
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0227	0.0129	0.0079
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0235	0.0153	0.0103
Trypanosoma cruzi	cruzipain precursor, putative	0.0329	0.0433	0.0752
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0545	0.1079	0.1034
Trypanosoma cruzi	cysteine peptidase, putative	0.0329	0.0433	0.0752
Giardia lamblia	Cysteine protease	0.0235	0.0153	0.0024
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0915	0.2186	0.2146
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0235	0.0153	0.0024
Onchocerca volvulus		0.1046	0.2576	1
Trypanosoma brucei	lanosterol synthase	0.0227	0.0129	0.031
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Echinococcus granulosus	cathepsin L	0.0564	0.1135	0.109
Trypanosoma cruzi	major cysteine proteinase, putative	0.0235	0.0153	0.0201
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.0227	0.0129	0.0108
Loa Loa (eye worm)	cysteine protease	0.1046	0.2576	0.2576
Giardia lamblia	Cathepsin B precursor	0.075	0.1693	0.1584
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.0153	0.0024
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0235	0.0153	0.0153
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0227	0.0129	0.0154
Echinococcus granulosus	cathepsin L cysteine proteinase	0.1046	0.2576	0.2538
Onchocerca volvulus		0.1046	0.2576	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1902	0.5132	0.5107
Echinococcus multilocularis	integrin beta 2	0.0897	0.2129	0.2089
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0564	0.1135	0.109
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0235	0.0153	0.0153
Brugia malayi	Cathepsin L-like precursor	0.1046	0.2576	0.2576
Loa Loa (eye worm)	integrin beta-2	0.1093	0.2715	0.2715
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0235	0.0153	0.0153
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.3531	1	1
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0235	0.0153	0.0024
Brugia malayi	Papain family cysteine protease containing protein	0.0235	0.0153	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0329	0.0433	0.0433
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Entamoeba histolytica	cysteine protease, putative	0.1046	0.2576	0.2479
Loa Loa (eye worm)	hypothetical protein	0.0717	0.1594	0.1594
Leishmania major	cathepsin L-like protease	0.1046	0.2576	1
Onchocerca volvulus		0.1046	0.2576	1
Leishmania major	cathepsin L-like protease	0.1046	0.2576	1
Entamoeba histolytica	cysteine proteinase, putative	0.0564	0.1135	0.1019
Echinococcus granulosus	prolyl endopeptidase	0.0294	0.033	0.0281
Schistosoma mansoni	integrin beta subunit	0.0713	0.158	0.1537
Loa Loa (eye worm)	hypothetical protein	0.0717	0.1594	0.1594
Leishmania major	cathepsin L-like protease	0.1046	0.2576	1
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.3531	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1046	0.2576	0.2479
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0564	0.1135	0.1019
Loa Loa (eye worm)	hypothetical protein	0.3531	1	1
Leishmania major	farnesyltransferase beta subunit	0.0227	0.0129	0.031
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0235	0.0153	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0153	0.0153
Plasmodium vivax	serine-repeat antigen (SERA)	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0235	0.0153	0.0024
Trypanosoma cruzi	hypothetical protein, conserved	0.0915	0.2186	0.4201
Plasmodium falciparum	serine repeat antigen 4	0.0235	0.0153	0.0024
Giardia lamblia	Rab geranylgeranyltransferase	0.0915	0.2186	0.2083
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0915	0.2186	0.2083
Trypanosoma cruzi	lanosterol synthase, putative	0.0227	0.0129	0.0154
Giardia lamblia	Cathepsin B precursor	0.075	0.1693	0.1584
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0915	0.2186	0.4201
Plasmodium falciparum	serine repeat antigen 9	0.0235	0.0153	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0294	0.033	0.033
Loa Loa (eye worm)	fibroinase	0.1046	0.2576	0.2576
Entamoeba histolytica	cysteine proteinase 1, putative	0.0564	0.1135	0.1019
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0915	0.2186	0.4201
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0915	0.2186	0.4201
Brugia malayi	cathepsin B-like cysteine proteinase	0.1902	0.5132	0.5132
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Leishmania major	cysteine peptidase A (CPA)	0.1046	0.2576	1
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0545	0.1079	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0227	0.0129	0.0129
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.1495	0.3917	0.3917
Giardia lamblia	Hypothetical protein	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.0153	0.0024
Entamoeba histolytica	cysteine proteinase, putative	0.0564	0.1135	0.1019
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.1495	0.3917	0.3838
Giardia lamblia	Cysteine protease	0.0235	0.0153	0.0024
Echinococcus multilocularis	cathepsin L	0.0235	0.0153	0.0103
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0235	0.0153	0.0024
Brugia malayi	cathepsin F-like cysteine proteinase	0.0235	0.0153	0.0153
Giardia lamblia	Cathepsin B precursor	0.0235	0.0153	0.0024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0294	0.033	0.0281
Giardia lamblia	Cathepsin B precursor	0.0235	0.0153	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0329	0.0433	0.0433
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0294	0.033	0.0732
Toxoplasma gondii	cathepsin CPC1	0.0235	0.0153	0.0141
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Giardia lamblia	Cysteine protease	0.0235	0.0153	0.0024
Loa Loa (eye worm)	hypothetical protein	0.1046	0.2576	0.2576
Onchocerca volvulus	Cathepsin L homolog	0.1046	0.2576	1
Brugia malayi	Papain family cysteine protease containing protein	0.0235	0.0153	0.0153
Leishmania major	cathepsin L-like protease	0.1046	0.2576	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019
Schistosoma mansoni	cathepsin F (C01 family)	0.1046	0.2576	0.2538
Plasmodium falciparum	serine repeat antigen 1	0.0235	0.0153	0.0024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1046	0.2576	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1046	0.2576	0.2479
Brugia malayi	Cathepsin L-like precursor	0.1046	0.2576	0.2576
Brugia malayi	Papain family cysteine protease containing protein	0.1046	0.2576	0.2576
Trypanosoma cruzi	cysteine proteinase, putative	0.0564	0.1135	0.2134
Brugia malayi	cathepsin L precursor	0.0235	0.0153	0.0153
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1046	0.2576	0.2479
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Brugia malayi	Papain family cysteine protease containing protein	0.0564	0.1135	0.1135
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1046	0.2576	0.2538
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0545	0.1079	0.3824
Loa Loa (eye worm)	prolyl oligopeptidase	0.0545	0.1079	0.1079
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0235	0.0153	0.0024
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0235	0.0153	0.0024
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.075	0.1693	0.6502
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0717	0.1594	0.1484
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0235	0.0153	0.0024
Echinococcus multilocularis	cathepsin L cysteine protease	0.1046	0.2576	0.2538
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.2616	0.7265	0.7229
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.1495	0.3917	0.3886
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1046	0.2576	0.2479
Echinococcus multilocularis	cysteine protease	0.1046	0.2576	0.2538
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1046	0.2576	0.2479
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1046	0.2576	0.2479
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0227	0.0129	0.0154
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.1046	0.2576	0.2479
Brugia malayi	cathepsin L-like cysteine proteinase	0.0235	0.0153	0.0153
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0564	0.1135	0.4294
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0915	0.2186	0.2083
Onchocerca volvulus	Cathepsin L homolog	0.1046	0.2576	1
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0153	0.0153
Entamoeba histolytica	cysteine proteinase 2	0.0564	0.1135	0.1019
Entamoeba histolytica	cysteine protease, putative	0.0564	0.1135	0.1019

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.03 uM	Ability to block the alpha4-beta7 integrin-MAdCAM-1 binding interaction using a protein ELISA format	ChEMBL.	12139455
IC50 (binding)	= 0.03 uM	Ability to block the alpha4-beta7 integrin-MAdCAM-1 binding interaction using a protein ELISA format	ChEMBL.	12139455
IC50 (binding)	= 1 uM	Ability to block the alphaV-beta3 integrin binding to vitronectin	ChEMBL.	12139455
IC50 (binding)	= 1 uM	Ability to block the alphaV-beta3 integrin binding to vitronectin	ChEMBL.	12139455
IC50 (binding)	= 1.1 uM	Inhibitory concentration affording 50% inhibition of alpha4-beta1 integrin binding to VCAM-1, using ELISA assay.	ChEMBL.	12139455
IC50 (binding)	= 1.1 uM	Inhibitory concentration affording 50% inhibition of alpha4-beta1 integrin binding to VCAM-1, using ELISA assay.	ChEMBL.	12139455
IC50 (binding)	= 6.1 uM	Ability to block the alpha5-beta1 integrin binding to fibronectin	ChEMBL.	12139455
IC50 (binding)	= 6.1 uM	Ability to block the alpha5-beta1 integrin binding to fibronectin	ChEMBL.	12139455
IC50 (binding)	> 25 uM	Inhibition of alpha IIb beta3 integrin binding to fibrinogen	ChEMBL.	12139455
IC50 (binding)	> 25 uM	Inhibition of alpha IIb beta3 integrin binding to fibrinogen	ChEMBL.	12139455
IC50 (binding)	> 100 uM	Ability to block alphaL-beta2 integrin binding to ICAM-1	ChEMBL.	12139455
IC50 (binding)	> 100 uM	Ability to block alphaL-beta2 integrin binding to ICAM-1	ChEMBL.	12139455

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.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 202377