TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.489 | Formula: C21H24N2O7S
H donors: 3 H acceptors: 5 LogP: 3.97 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(OC(=O)Nc1ccc2c(c1)oc1c2cc(cc1)S(=O)(=O)N[C@@H](C(=O)O)C(C)C)C
InChi: 1S/C21H24N2O7S/c1-11(2)19(20(24)25)23-31(27,28)14-6-8-17-16(10-14)15-7-5-13(9-18(15)30-17)22-21(26)29-12(3)4/h5-12,19,23H,1-4H3,(H,22,26)(H,24,25)/t19-/m1/s1
InChiKey: FIKHJLBGJKASJJ-LJQANCHMSA-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	matrix metallopeptidase 12 (macrophage elastase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 13 (collagenase 3)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 12 (macrophage elastase)	470 aa	467 aa	32.1 %
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 13 (collagenase 3)	471 aa	448 aa	34.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0174	0.1871	0.6135
Mycobacterium leprae	PROBABLE HYDROLASE	0.0064	0.0216	1
Echinococcus granulosus	tubulin alpha chain	0.0174	0.1871	0.1819
Trichomonas vaginalis	tubulin alpha chain, putative	0.007	0.0312	0.0932
Leishmania major	beta tubulin	0.023	0.2716	1
Loa Loa (eye worm)	tubulin alpha 2	0.012	0.1056	0.3424
Brugia malayi	Hemopexin family protein	0.0075	0.0374	0.1234
Loa Loa (eye worm)	matrixin family protein	0.0117	0.1009	0.3271
Trypanosoma cruzi	epsilon tubulin, putative	0.0125	0.1127	0.4008
Echinococcus multilocularis	tubulin alpha chain	0.0174	0.1871	0.1819
Loa Loa (eye worm)	BEN-1 protein	0.023	0.2716	0.8943
Echinococcus multilocularis	Tubulin beta 2C chain	0.023	0.2716	0.2669
Echinococcus granulosus	tubulin alpha chain	0.0174	0.1871	0.1819
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.012	0.1056	0.3738
Loa Loa (eye worm)	tubulin alpha 2	0.012	0.1056	0.3424
Echinococcus multilocularis	beta tubulin	0.023	0.2716	0.2669
Schistosoma mansoni	tubulin subunit beta	0.023	0.2716	0.2716
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0174	0.1871	0.6814
Giardia lamblia	Alpha-tubulin	0.0174	0.1871	0.6814
Trichomonas vaginalis	tubulin gamma chain, putative	0.0125	0.1127	0.4008
Schistosoma mansoni	microtubule-associated protein tau	0.0713	1	1
Trypanosoma brucei	beta tubulin	0.023	0.2716	1
Brugia malayi	Matrixin family protein	0.0053	0.0042	0.014
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0191	0.2135	0.2084
Schistosoma mansoni	alpha tubulin	0.0174	0.1871	0.1871
Echinococcus multilocularis	tubulin gamma 1 chain	0.0125	0.1127	0.107
Entamoeba histolytica	tubulin family protein	0.023	0.2716	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0103	0.0808	0.2805
Trypanosoma brucei	alpha tubulin	0.0174	0.1871	0.6814
Entamoeba histolytica	tubulin family protein	0.023	0.2716	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0174	0.1871	0.1819
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0808	0.2602
Echinococcus multilocularis	peroxisome assembly protein 26	0.0174	0.1871	0.1819
Trichomonas vaginalis	tubulin, putative	0.007	0.0312	0.0932
Plasmodium falciparum	tubulin gamma chain	0.0125	0.1127	0.4008
Echinococcus granulosus	tubulin alpha chain	0.0174	0.1871	0.1819
Treponema pallidum	cell division protein FtsZ	0.0054	0.0064	0.5
Brugia malayi	Tubulin alpha-2 chain	0.0174	0.1871	0.6167
Echinococcus granulosus	tubulin alpha 3 chain	0.0174	0.1871	0.1819
Loa Loa (eye worm)	tubulin beta chain	0.0054	0.0064	0.013
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Echinococcus multilocularis	microtubule associated protein 2	0.0713	1	1
Trypanosoma cruzi	tubulin gamma chain	0.0125	0.1127	0.4008
Mycobacterium ulcerans	hydrolase	0.0064	0.0216	1
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Echinococcus multilocularis	tubulin alpha chain	0.0174	0.1871	0.1819
Leishmania major	beta tubulin	0.023	0.2716	1
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Loa Loa (eye worm)	transcription factor SMAD2	0.0251	0.3034	1
Giardia lamblia	Alpha-tubulin	0.0174	0.1871	0.6814
Trypanosoma brucei	beta tubulin	0.0125	0.1127	0.4008
Loa Loa (eye worm)	alpha-tubulin	0.0174	0.1871	0.6135
Loa Loa (eye worm)	tubulin beta-1 chain	0.023	0.2716	0.8943
Loa Loa (eye worm)	hypothetical protein	0.0244	0.2933	0.9662
Brugia malayi	beta-tubulin, identical	0.023	0.2716	0.8952
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0064	0.0216	1
Echinococcus multilocularis	tubulin alpha	0.0125	0.1127	0.107
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Entamoeba histolytica	tubulin alpha chain, putative	0.0174	0.1871	0.4682
Echinococcus multilocularis	tubulin beta 1 chain	0.023	0.2716	0.2669
Brugia malayi	alpha-tubulin	0.0174	0.1871	0.6167
Loa Loa (eye worm)	hypothetical protein	0.012	0.1056	0.3424
Plasmodium vivax	tubulin epsilon chain, putative	0.0125	0.1127	0.4008
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Echinococcus multilocularis	tubulin alpha 3 chain	0.0174	0.1871	0.1819
Brugia malayi	Matrixin family protein	0.0053	0.0042	0.014
Leishmania major	beta tubulin	0.023	0.2716	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0174	0.1871	0.6814
Echinococcus multilocularis	Tubulin beta 2C chain	0.023	0.2716	0.2669
Echinococcus granulosus	tubulin epsilon chain	0.0125	0.1127	0.107
Loa Loa (eye worm)	MH2 domain-containing protein	0.0251	0.3034	1
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0053	0.0042	0.0042
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.012	0.1056	0.3424
Schistosoma mansoni	tubulin subunit delta	0.0054	0.0064	0.0064
Brugia malayi	Matrixin family protein	0.0127	0.1168	0.385
Loa Loa (eye worm)	tubulin alpha chain	0.0174	0.1871	0.6135
Leishmania major	beta tubulin	0.023	0.2716	1
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0191	0.2135	0.2084
Schistosoma mansoni	tubulin subunit beta	0.0054	0.0064	0.0064
Brugia malayi	Tubulin beta-1 chain	0.023	0.2716	0.8952
Schistosoma mansoni	tubulin subunit alpha	0.0054	0.0064	0.0064
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Trichomonas vaginalis	tubulin alpha chain, putative	0.007	0.0312	0.0932
Echinococcus granulosus	tubulin beta 1 chain	0.023	0.2716	0.2669
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0125	0.1127	0.4008
Echinococcus granulosus	tubulin subunit TubB	0.0174	0.1871	0.1819
Leishmania major	beta tubulin	0.023	0.2716	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0174	0.1871	0.6814
Trypanosoma brucei	alpha tubulin	0.0174	0.1871	0.6814
Leishmania major	beta tubulin	0.023	0.2716	1
Onchocerca volvulus	Matrilysin homolog	0.0053	0.0042	0.0421
Schistosoma mansoni	tubulin subunit beta	0.023	0.2716	0.2716
Brugia malayi	Tubulin gamma chain	0.0125	0.1127	0.3715
Plasmodium vivax	tubulin alpha chain, putative	0.0174	0.1871	0.6814
Trichomonas vaginalis	tubulin beta chain, putative	0.0174	0.1871	0.6814
Schistosoma mansoni	tubulin subunit beta	0.023	0.2716	0.2716
Loa Loa (eye worm)	matrix metalloproteinase	0.0053	0.0042	0.0057
Brugia malayi	Cell division protein ftsZ	0.0054	0.0064	0.0212
Leishmania major	gamma-tubulin	0.0125	0.1127	0.4008
Echinococcus multilocularis	tubulin alpha 1C chain	0.0174	0.1871	0.1819
Loa Loa (eye worm)	alpha-tubulin	0.0174	0.1871	0.6135
Schistosoma mansoni	tubulin subunit beta	0.023	0.2716	0.2716
Trypanosoma brucei	epsilon tubulin	0.0125	0.1127	0.4008
Echinococcus multilocularis	tubulin alpha 3 chain	0.0174	0.1871	0.1819
Leishmania major	beta tubulin	0.023	0.2716	1
Leishmania major	beta tubulin	0.023	0.2716	1
Trypanosoma brucei	epsilon tubulin	0.0125	0.1127	0.4008
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0054	0.0064	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0174	0.1871	0.1819
Leishmania major	beta tubulin	0.023	0.2716	1
Giardia lamblia	Beta tubulin	0.023	0.2716	1
Brugia malayi	tubulin alpha chain - mouse	0.0174	0.1871	0.6167
Trypanosoma brucei	beta tubulin	0.023	0.2716	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0174	0.1871	0.6814
Echinococcus granulosus	tubulin alpha chain	0.0174	0.1871	0.1819
Echinococcus granulosus	Tubulin beta 2C chain	0.023	0.2716	0.2669
Echinococcus multilocularis	tubulin alpha chain	0.0174	0.1871	0.1819
Trichomonas vaginalis	tubulin alpha chain, putative	0.0125	0.1127	0.4008
Echinococcus multilocularis	tubulin alpha chain	0.0174	0.1871	0.1819
Plasmodium vivax	tubulin beta chain, putative	0.023	0.2716	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.023	0.2716	1
Trypanosoma brucei	alpha tubulin, putative	0.007	0.0312	0.0932
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0042	0.0057
Onchocerca volvulus		0.0075	0.0374	0.3708
Loa Loa (eye worm)	tubulin beta chain	0.023	0.2716	0.8943
Echinococcus multilocularis	Tubulin beta 2C chain	0.023	0.2716	0.2669
Onchocerca volvulus	Matrilysin homolog	0.0117	0.1009	1
Giardia lamblia	Gamma tubulin	0.0125	0.1127	0.4008
Trypanosoma brucei	beta tubulin	0.023	0.2716	1
Brugia malayi	Tubulin beta chain	0.0054	0.0064	0.0212
Echinococcus granulosus	tubulin alpha chain	0.0174	0.1871	0.1819
Trypanosoma cruzi	beta tubulin, putative	0.023	0.2716	1
Brugia malayi	Matrixin family protein	0.0053	0.0042	0.014
Leishmania major	beta tubulin	0.023	0.2716	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0125	0.1127	0.4008
Leishmania major	beta tubulin	0.023	0.2716	1
Loa Loa (eye worm)	matrixin family protein	0.0127	0.1168	0.3799
Leishmania major	beta tubulin	0.023	0.2716	1
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Plasmodium falciparum	tubulin epsilon chain, putative	0.0125	0.1127	0.4008
Echinococcus granulosus	tubulin alpha 1C chain	0.0174	0.1871	0.1819
Brugia malayi	Tubulin alpha-2 chain	0.0174	0.1871	0.6167
Loa Loa (eye worm)	tubulin beta-4 chain	0.023	0.2716	0.8943
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Echinococcus granulosus	Tubulin beta 2C chain	0.023	0.2716	0.2669
Echinococcus multilocularis	beta tubulin	0.023	0.2716	0.2669
Toxoplasma gondii	alpha tubulin TUBA1	0.0174	0.1871	0.6814
Leishmania major	beta tubulin	0.023	0.2716	1
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Schistosoma mansoni	hypothetical protein	0.0075	0.0374	0.0374
Echinococcus granulosus	Tubulin beta 2C chain	0.023	0.2716	0.2669
Brugia malayi	Tubulin alpha chain	0.0054	0.0064	0.0212
Echinococcus multilocularis	survival motor neuron protein 1	0.0244	0.2933	0.2887
Plasmodium falciparum	alpha tubulin 2	0.0174	0.1871	0.6814
Toxoplasma gondii	beta-1 tubulin, putative	0.023	0.2716	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0174	0.1871	0.1819
Leishmania major	beta tubulin	0.023	0.2716	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.023	0.2716	0.2669
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0025	0.0083
Trichomonas vaginalis	tubulin beta chain, putative	0.0174	0.1871	0.6814
Trichomonas vaginalis	tubulin epsilon chain, putative	0.023	0.2716	1
Brugia malayi	hypothetical protein	0.0244	0.2933	0.9665
Trichomonas vaginalis	tubulin, putative	0.007	0.0312	0.0932
Onchocerca volvulus		0.007	0.0312	0.3086
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0103	0.0808	0.2602
Brugia malayi	tubulin alpha-2 chain	0.0174	0.1871	0.6167
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0042	0.0057
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0025	0.0083
Echinococcus granulosus	alpha tubulin	0.0174	0.1871	0.1819
Plasmodium vivax	tubulin alpha chain, putative	0.0174	0.1871	0.6814
Echinococcus granulosus	beta tubulin	0.023	0.2716	0.2669
Echinococcus granulosus	tubulin alpha 1C chain	0.0174	0.1871	0.1819
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Trichomonas vaginalis	tubulin beta chain, putative	0.0174	0.1871	0.6814
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0174	0.1871	0.6814
Trypanosoma brucei	alpha tubulin	0.0174	0.1871	0.6814
Toxoplasma gondii	beta-tubulin, putative	0.023	0.2716	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0174	0.1871	0.1819
Leishmania major	alpha tubulin	0.0174	0.1871	0.6814
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0042	0.0057
Loa Loa (eye worm)	BEN-1 protein	0.023	0.2716	0.8943
Echinococcus multilocularis	tubulin epsilon chain	0.0125	0.1127	0.107
Brugia malayi	Tubulin beta chain	0.007	0.0312	0.1027
Trichomonas vaginalis	tubulin alpha chain, putative	0.007	0.0312	0.0932
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0117	0.1009	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0174	0.1871	0.1819
Trypanosoma brucei	alpha tubulin	0.0174	0.1871	0.6814
Giardia lamblia	Beta tubulin	0.023	0.2716	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0174	0.1871	0.1819
Toxoplasma gondii	beta tubulin	0.023	0.2716	1
Echinococcus granulosus	Tubulin beta 2C chain	0.023	0.2716	0.2669
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.007	0.0312	0.0932
Trichomonas vaginalis	tubulin, putative	0.023	0.2716	1
Leishmania major	beta tubulin	0.023	0.2716	1
Schistosoma mansoni	alpha tubulin	0.0174	0.1871	0.1871
Echinococcus multilocularis	tubulin subunit beta	0.023	0.2716	0.2669
Trypanosoma cruzi	alpha tubulin, putative	0.0174	0.1871	0.6814
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0174	0.1871	0.6814
Entamoeba histolytica	tubulin alpha-1 chain	0.0174	0.1871	0.4682
Schistosoma mansoni	tubulin subunit beta	0.023	0.2716	0.2716
Plasmodium vivax	tubulin gamma chain, putative	0.0125	0.1127	0.4008
Trichomonas vaginalis	tubulin beta chain, putative	0.0174	0.1871	0.6814
Trichomonas vaginalis	tubulin beta chain, putative	0.023	0.2716	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0174	0.1871	0.6135
Leishmania major	beta tubulin	0.023	0.2716	1
Echinococcus granulosus	tubulin alpha	0.0125	0.1127	0.107
Schistosoma mansoni	tubulin subunit alpha	0.0174	0.1871	0.1871
Plasmodium falciparum	tubulin beta chain	0.023	0.2716	1
Echinococcus multilocularis	tubulin subunit TubB	0.0174	0.1871	0.1819
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0174	0.1871	0.1819
Leishmania major	epsilon tubulin, putative	0.0125	0.1127	0.4008
Trichomonas vaginalis	tubulin beta chain, putative	0.007	0.0312	0.0932
Echinococcus multilocularis	Tubulin beta 2C chain	0.023	0.2716	0.2669
Brugia malayi	Matrixin family protein	0.0053	0.0042	0.014
Echinococcus multilocularis	hypothetical protein	0.0174	0.1871	0.1819
Leishmania major	beta tubulin	0.023	0.2716	1
Leishmania major	beta tubulin	0.023	0.2716	1
Brugia malayi	MH2 domain containing protein	0.0251	0.3034	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0125	0.1127	0.4008
Schistosoma mansoni	tubulin subunit alpha	0.0174	0.1871	0.1871
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0064	0.0216	0.071
Schistosoma mansoni	tubulin subunit alpha	0.0174	0.1871	0.1871
Echinococcus granulosus	survival motor neuron protein 1	0.0244	0.2933	0.2887
Schistosoma mansoni	tubulin subunit gamma	0.0125	0.1127	0.1127
Loa Loa (eye worm)	tubulin gamma chain	0.0125	0.1127	0.3662
Schistosoma mansoni	tubulin subunit epsilon	0.0125	0.1127	0.1127
Trichomonas vaginalis	tubulin alpha chain, putative	0.023	0.2716	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.023	0.2716	0.2669
Echinococcus multilocularis	tubulin alpha chain	0.0174	0.1871	0.1819
Echinococcus granulosus	Tubulin beta 2C chain	0.023	0.2716	0.2669
Echinococcus granulosus	tubulin gamma 1 chain	0.0125	0.1127	0.107
Schistosoma mansoni	tubulin subunit beta	0.023	0.2716	0.2716
Giardia lamblia	Beta tubulin	0.023	0.2716	1
Trypanosoma brucei	epsilon tubulin	0.0125	0.1127	0.4008
Schistosoma mansoni	alpha tubulin	0.0174	0.1871	0.1871
Loa Loa (eye worm)	tubulin beta-2A chain	0.023	0.2716	0.8943
Echinococcus granulosus	tubulin subunit beta	0.023	0.2716	0.2669
Brugia malayi	Tubulin alpha chain	0.0174	0.1871	0.6167
Echinococcus granulosus	Tubulin alpha 1 chain	0.0174	0.1871	0.1819
Plasmodium falciparum	alpha tubulin 1	0.0174	0.1871	0.6814
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.023	0.2716	0.2669
Trichomonas vaginalis	tubulin gamma chain, putative	0.023	0.2716	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0216	0.0632
Loa Loa (eye worm)	tubulin alpha chain	0.0174	0.1871	0.6135
Echinococcus granulosus	beta tubulin	0.023	0.2716	0.2669
Onchocerca volvulus		0.0053	0.0042	0.0421
Loa Loa (eye worm)	beta-tubulin	0.023	0.2716	0.8943
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0174	0.1871	0.1819
Trypanosoma brucei	beta tubulin	0.023	0.2716	1
Trypanosoma brucei	tubulin gamma chain	0.0125	0.1127	0.4008

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 39 nM	Inhibition of human recombinant MMP12 expressed in Escherichia coli	ChEMBL.	19278250
IC50 (binding)	= 500 nM	Inhibition of human recombinant MMP13 expressed in Escherichia coli	ChEMBL.	19278250

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

ChEMBL: CHEMBL474622

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 972695