TDR Targets

Basic information

Technical information

TDR Targets ID: 1129885
Name: (2S)-2-[[(2S)-2-[[[(S)-amino-phenylmethyl]-hy droxyphosphoryl]methyl]-3-(4-phenylphenyl)pro panoyl]amino]propanoic acid
MW: 480.493 | Formula: C26H29N2O5P
H donors: 4 H acceptors: 5 LogP: 0.16 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H](C(=O)O)NC(=O)[C@@H](CP(=O)([C@@H](c1ccccc1)N)O)Cc1ccc(cc1)c1ccccc1
InChi: 1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t18-,23+,24-/m0/s1
InChiKey: NCJYNTULOJIUPY-GLYQVZKVSA-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

(2S)-2-[[(2S)-2-[[[(S)-amino-phenyl-methyl]-hydroxy-phosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
(2S)-2-[[(2S)-2-[[[(S)-amino-phenylmethyl]-hydroxyphosphoryl]methyl]-1-oxo-3-(4-phenylphenyl)propyl]amino]propanoic acid
(2S)-2-[[(2S)-2-[[[(S)-amino-phenyl-methyl]-hydroxy-phosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propionic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Angiotensin-converting enzyme	Starlite/ChEMBL	References
Oryctolagus cuniculus	Neprilysin	Starlite/ChEMBL	References
Sus scrofa	Aminopeptidase N	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127217	All targets in OG5_127217
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Neospora caninum	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	Get druggable targets OG5_131988	All targets in OG5_131988
Echinococcus multilocularis	aminopeptidase N	Get druggable targets OG5_127217	All targets in OG5_127217
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	peptidase family M13 containing protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Toxoplasma gondii	peptidase family M13 protein	Get druggable targets OG5_127344	All targets in OG5_127344
Mycobacterium leprae	probable zinc metalloprotease	Get druggable targets OG5_127344	All targets in OG5_127344
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	Get druggable targets OG5_127344	All targets in OG5_127344
Mycobacterium ulcerans	zinc metalloprotease	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	peptidase family M1 containing protein	Get druggable targets OG5_127217	All targets in OG5_127217
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Schistosoma japonicum	ko:K01415 endothelin-converting enzyme [EC3.4.24.71], putative	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127217	All targets in OG5_127217
Echinococcus granulosus	aminopeptidase N	Get druggable targets OG5_127217	All targets in OG5_127217
Brugia malayi	Peptidase family M1 containing protein	Get druggable targets OG5_127217	All targets in OG5_127217
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Echinococcus granulosus	endothelin converting enzyme 1	Get druggable targets OG5_127344	All targets in OG5_127344
Schistosoma japonicum	IPR000718,Peptidase M13, neprilysin,domain-containing	Get druggable targets OG5_127344	All targets in OG5_127344
Brugia malayi	Angiotensin-converting enzyme family protein	Get druggable targets OG5_131988	All targets in OG5_131988
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Onchocerca volvulus		Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Schistosoma japonicum	ko:K01256 membrane alanyl aminopeptidase [EC3.4.11.2], putative	Get druggable targets OG5_127217	All targets in OG5_127217
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Echinococcus multilocularis	endothelin converting enzyme 1	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Brugia malayi	Peptidase family M13 containing protein	Get druggable targets OG5_127344	All targets in OG5_127344
Onchocerca volvulus		Get druggable targets OG5_127217	All targets in OG5_127217
Loa Loa (eye worm)	peptidase family M13 containing protein	Get druggable targets OG5_127344	All targets in OG5_127344

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Neprilysin	750 aa	682 aa	31.4 %
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	Neprilysin	750 aa	773 aa	20.7 %
Schistosoma japonicum	Endothelin-converting enzyme 2, putative	Neprilysin	750 aa	787 aa	21.2 %
Onchocerca volvulus		Neprilysin	750 aa	713 aa	33.7 %
Echinococcus multilocularis	puromycin sensitive aminopeptidase	Aminopeptidase N	963 aa	981 aa	29.2 %
Echinococcus multilocularis	puromycin sensitive aminopeptidase	Aminopeptidase N	963 aa	981 aa	28.8 %
Echinococcus multilocularis	puromycin sensitive aminopeptidase	Aminopeptidase N	963 aa	988 aa	28.5 %
Echinococcus granulosus	puromycin sensitive aminopeptidase	Aminopeptidase N	963 aa	975 aa	29.1 %
Onchocerca volvulus		Aminopeptidase N	963 aa	893 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	intermediate filament protein	0.0028	0.0105	0.0203
Brugia malayi	Peptidase family M1 containing protein	0.003	0.0117	0.0226
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0041	0.0041
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0056	0.0297	0.027
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0281	0.0548
Echinococcus multilocularis	transmembrane protease serine 3	0.0032	0.0133	0.0133
Echinococcus granulosus	intermediate filament protein	0.0028	0.0105	0.0105
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0113	0.0221
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.003	0.0117	0.1653
Echinococcus granulosus	lamin	0.0028	0.0105	0.0105
Toxoplasma gondii	peptidase family M13 protein	0.0228	0.1496	1
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.003	0.0117	0.4589
Echinococcus granulosus	transmembrane protease serine 3	0.0032	0.0133	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0311	0.2075	0.4056
Onchocerca volvulus		0.0092	0.0549	0.2473
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0041	0.0041
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0137	0.0656
Echinococcus multilocularis	lamin dm0	0.0028	0.0105	0.0105
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0169	0.1082	0.2115
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0164	0.0319
Schistosoma mansoni	hypothetical protein	0.006	0.0324	0.0297
Echinococcus multilocularis	polycomb protein SCMH1	0.0053	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0257	0.1695	0.3313
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.0797	0.1557
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0084	0.0496	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Echinococcus multilocularis	aminopeptidase N	0.0286	0.1901	0.1901
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0084	0.0496	0.0496
Echinococcus multilocularis	lysine specific demethylase 5A	0.0042	0.0203	0.0203
Mycobacterium leprae	probable zinc metalloprotease	0.0228	0.1496	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0056	0.0297	0.027
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0133	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1082	0.2115
Toxoplasma gondii	aminopeptidase N, putative	0.003	0.0117	0.0517
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0084	0.0496	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0101	0.0196
Loa Loa (eye worm)	jmjC domain-containing protein	0.0072	0.0409	0.0798
Echinococcus multilocularis	neuropeptide s receptor	0.0464	0.3138	0.3138
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.006	0.0327	0.0327
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0105	0.0077
Brugia malayi	hypothetical protein	0.003	0.0117	0.0226
Onchocerca volvulus	Alhambra homolog	0.0035	0.0152	0.0263
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0895	0.6131	0.6131
Echinococcus multilocularis	musashi	0.0028	0.0105	0.0105
Plasmodium falciparum	phd finger protein, putative	0.0035	0.0152	0.5999
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0749	0.5115	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.002	0.0048	0.002
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.006	0.0327	0.0327
Brugia malayi	Trypsin family protein	0.0032	0.0133	0.0258
Echinococcus granulosus	peregrin	0.0035	0.0152	0.0152
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.0152	0.0152
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0252	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0771	0.0746
Trypanosoma brucei	hypothetical protein, conserved	0.0026	0.0092	0.1122
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.003	0.0117	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0133	0.0259
Brugia malayi	PHD-finger family protein	0.0035	0.0152	0.0295
Brugia malayi	F/Y-rich N-terminus family protein	0.0021	0.006	0.0114
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0055	0.029	0.5474
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0324	0.0633
Entamoeba histolytica	hypothetical protein	0.0111	0.0685	1
Brugia malayi	Trypsin family protein	0.0032	0.0133	0.0258
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0303	0.1799
Loa Loa (eye worm)	hypothetical protein	0.0173	0.111	0.2169
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0068	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0173	0.111	0.2169
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.003	0.0117	0.4589
Onchocerca volvulus		0.0032	0.0133	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1315	0.257
Echinococcus granulosus	histone acetyltransferase MYST2	0.006	0.0327	0.0327
Echinococcus granulosus	endothelin converting enzyme 1	0.0228	0.1496	0.1496
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0028	0.0052
Schistosoma mansoni	hypothetical protein	0.0032	0.0133	0.0106
Onchocerca volvulus		0.0254	0.1674	0.8738
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0032	0.0133	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0771	0.1507
Echinococcus multilocularis	enteropeptidase	0.0032	0.0133	0.0133
Toxoplasma gondii	peptidylprolyl isomerase	0.0033	0.0138	0.0666
Trichomonas vaginalis	set domain proteins, putative	0.0254	0.1674	1
Schistosoma mansoni	endothelin-converting enzyme-related	0.0056	0.0297	0.027
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.006	0.0324	0.0297
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0004	0.0004
Brugia malayi	MH2 domain containing protein	0.0128	0.0797	0.1557
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0115	0.0711	0.0685
Brugia malayi	peptidase family M13 containing protein	0.0056	0.0297	0.0578
Brugia malayi	Muscleblind-like protein	0.0311	0.2075	0.4056
Schistosoma mansoni	hypothetical protein	0.0036	0.0164	0.0136
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0138	0.2129
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0084	0.0496	0.0496
Onchocerca volvulus		0.0032	0.0133	0.0159
Trypanosoma cruzi	aminopeptidase, putative	0.003	0.0117	0.1653
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0084	0.0496	1
Onchocerca volvulus		0.003	0.0117	0.0066
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0033	0.0138	0.0773
Schistosoma mansoni	lamin	0.0028	0.0105	0.0077
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0114	0.0701	0.0701
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0289	0.0262
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0015	0.0026
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0084	0.0496	0.0496
Brugia malayi	hypothetical protein	0.0032	0.0131	0.0254
Loa Loa (eye worm)	hypothetical protein	0.003	0.0117	0.0227
Echinococcus granulosus	jumonji domain containing protein	0.0048	0.0246	0.0246
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0055	0.029	0.029
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0033	0.0138	0.2129
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0252	0.4627
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0281	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0055	0.029	0.0567
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0032	0.0133	0.0133
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.0277	0.0249
Echinococcus granulosus	Mastin	0.0032	0.0133	0.0133
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0026	0.0092	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0137	0.0109
Schistosoma mansoni	rotamase	0.0034	0.0144	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0696	0.136
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0207	0.1353	0.1353
Onchocerca volvulus		0.0113	0.0696	0.3293
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0137	0.0266
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Schistosoma mansoni	hypothetical protein	0.0032	0.0133	0.0106
Trypanosoma cruzi	aminopeptidase, putative	0.0084	0.0496	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0252	0.0491
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0026	0.0092	0.0351
Echinococcus granulosus	leukotriene A 4 hydrolase	0.003	0.0117	0.0117
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0004	0.0004
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0028	0.0028
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0084	0.0496	0.0496
Echinococcus multilocularis	glycoprotein Antigen 5	0.0032	0.0133	0.0133
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.003	0.0117	0.0117
Schistosoma mansoni	cpg binding protein	0.0031	0.0125	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0173	0.111	0.2169
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0138	0.2129
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0056	0.0297	0.027
Schistosoma mansoni	transcription factor LCR-F1	0.0111	0.0685	0.0659
Echinococcus granulosus	SAM and MBT domain containing protein	0.0053	0.0277	0.0277
Brugia malayi	hypothetical protein	0.0032	0.0133	0.0258
Echinococcus multilocularis	dnaJ subfamily B	0.0416	0.28	0.28
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0228	0.1496	0.2923
Loa Loa (eye worm)	hypothetical protein	0.0173	0.111	0.2169
Schistosoma mansoni	cpg binding protein	0.0029	0.0113	0.0086
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0028	0.0028
Mycobacterium ulcerans	aminopeptidase N PepN	0.0084	0.0496	0.2878
Loa Loa (eye worm)	trypsin family protein	0.0032	0.0133	0.0259
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0105	0.0203
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0115	0.0711	0.0685
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0115	0.0711	0.0685
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0228	0.1496	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0116	0.0719	0.0693
Schistosoma mansoni	jumonji domain containing protein	0.009	0.0538	0.0512
Echinococcus granulosus	cpg binding protein	0.0031	0.0125	0.0125
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0144	0.0174
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0084	0.0496	0.0496
Brugia malayi	jmjC domain containing protein	0.0114	0.0701	0.1368
Echinococcus granulosus	aminopeptidase N	0.0286	0.1901	0.1901
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0084	0.0496	0.047
Loa Loa (eye worm)	aminopeptidase N	0.0084	0.0496	0.0969
Toxoplasma gondii	aminopeptidase n, putative	0.003	0.0117	0.0517
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0055	0.029	0.0263
Schistosoma mansoni	aminopeptidase A (M01 family)	0.003	0.0117	0.0089
Toxoplasma gondii	LsmAD domain-containing protein	0.0049	0.0252	0.1447
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0093	0.0557	0.0531
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0026	0.0092	0.0351
Echinococcus multilocularis	endothelin converting enzyme 1	0.0228	0.1496	0.1496
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0041	0.0041
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0056	0.0297	0.0579
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0289	0.0262
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0289	0.0289
Echinococcus granulosus	GPCR family 2	0.0017	0.0028	0.0028
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0028	0.0053
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.003	0.0117	0.1653
Schistosoma mansoni	lamin	0.0028	0.0105	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0028	0.0053
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0289	0.0289
Echinococcus granulosus	L aminoadipate semialdehyde	0.0093	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1033	0.2018
Schistosoma mansoni	hypothetical protein	0.006	0.0324	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1082	0.2115
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0033	0.0138	0.2129
Brugia malayi	TATA binding protein associated factor	0.003	0.0117	0.0226
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0164	0.0318
Schistosoma mansoni	myelin transcription factor 1 myt1	0.006	0.0327	0.03
Echinococcus multilocularis	cpg binding protein	0.0031	0.0125	0.0125
Schistosoma mansoni	hypothetical protein	0.0416	0.28	0.278
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0015	0.0027
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0034	0.0144	0.0279
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0289	0.0262
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0289	0.0564
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0022	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1496	0.2924
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0114	0.0701	0.0701
Toxoplasma gondii	aminopeptidase N protein	0.003	0.0117	0.0517
Brugia malayi	Angiotensin-converting enzyme family protein	0.0749	0.5115	1
Echinococcus multilocularis	Mastin	0.0032	0.0133	0.0133
Brugia malayi	hypothetical protein	0.0084	0.0496	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0133	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0001	0.0001
Mycobacterium ulcerans	aminopeptidase N PepN	0.003	0.0117	0.0172
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0053	0.0277	0.0277
Plasmodium vivax	ataxin-2 like protein, putative	0.0049	0.0252	1
Mycobacterium ulcerans	hypothetical protein	0.0032	0.0133	0.029
Brugia malayi	Trypsin-like protease protein 5	0.0032	0.0133	0.0258
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0223	0.146	0.2854
Echinococcus granulosus	neuropeptide s receptor	0.0464	0.3138	0.3138
Loa Loa (eye worm)	TATA binding protein associated factor	0.003	0.0117	0.0227
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.0152	0.0296
Entamoeba histolytica	hypothetical protein	0.0111	0.0685	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.006	0.0327	0.0638
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0232	0.1521	0.2973
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.003	0.0117	0.4589
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0152	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0105	0.0203
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0349	0.0322
Trypanosoma brucei	PAB1-binding protein , putative	0.0049	0.0252	0.4627
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Trypanosoma brucei	Aminopeptidase M1, putative	0.0084	0.0496	1
Brugia malayi	Trypsin family protein	0.0032	0.0133	0.0258
Brugia malayi	hypothetical protein	0.0049	0.0252	0.0491
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0137	0.0109
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.003	0.0117	0.1653
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0084	0.0496	0.0496
Echinococcus multilocularis	histone acetyltransferase MYST2	0.006	0.0327	0.0327
Onchocerca volvulus		0.0286	0.1901	1
Onchocerca volvulus		0.0032	0.0133	0.0159
Entamoeba histolytica	aminopeptidase, putative	0.0084	0.0496	0.6817
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0032	0.0133	0.0106
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0137	0.0109
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0044	0.0214	0.0187
Trypanosoma brucei	aminopeptidase, putative	0.003	0.0117	0.1653
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0137	0.0137
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0041	0.0041
Schistosoma mansoni	hypothetical protein	0.006	0.0324	0.0297
Schistosoma mansoni	neprilysin	0.006	0.0324	0.0297
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0041	0.0041
Onchocerca volvulus		0.0032	0.0133	0.0159
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0034	0.0144	0.028
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0115	0.0711	0.0685
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0028	0.0028
Leishmania major	hypothetical protein, conserved	0.0049	0.0252	0.4627
Brugia malayi	mbt repeat family protein	0.0053	0.0277	0.0539
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0084	0.0496	1
Loa Loa (eye worm)	MBCTL1	0.006	0.0327	0.0638
Schistosoma mansoni	hypothetical protein	0.0181	0.1169	0.1144
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0055	0.029	0.0567
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0152	0.5999
Schistosoma mansoni	microtubule-associated protein tau	0.1451	1	1
Giardia lamblia	PHD finger protein 15	0.0035	0.0152	0.5
Leishmania major	phosphopantetheinyl transferase-like protein	0.0026	0.0092	0.1122
Echinococcus granulosus	geminin	0.0181	0.1169	0.1169
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0004	0.0007
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0032	0.0133	0.0106
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0137	0.0137
Brugia malayi	Peptidase family M13 containing protein	0.0228	0.1496	0.2923
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.0152	0.0124
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0281	0.0547
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.003	0.0117	0.1653
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.0277	0.0249
Brugia malayi	Peptidase family M1 containing protein	0.0084	0.0496	0.0969
Brugia malayi	mbt repeat family protein	0.0053	0.0277	0.0539
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.003	0.0117	0.4589
Echinococcus multilocularis	muscleblind protein	0.0311	0.2075	0.2075
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0084	0.0496	0.2439
Mycobacterium ulcerans	zinc metalloprotease	0.0228	0.1496	1
Schistosoma mansoni	hypothetical protein	0.006	0.0324	0.0297
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0068	0.0132
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0041	0.0079
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0022	0.0064	0.0064
Entamoeba histolytica	hypothetical protein	0.0111	0.0685	1
Echinococcus granulosus	neuropeptide receptor A26	0.0464	0.3138	0.3138
Echinococcus multilocularis	muscleblind protein 1	0.0311	0.2075	0.2075
Schistosoma mansoni	hypothetical protein	0.0111	0.0685	0.0659
Echinococcus multilocularis	jumonji domain containing protein	0.0048	0.0246	0.0246
Echinococcus granulosus	polycomb protein SCMH1	0.0053	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0557	0.1088
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0028	0.0028
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0289	0.0289
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0041	0.0079
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0115	0.0711	0.0685
Plasmodium vivax	SET domain protein, putative	0.0033	0.0137	0.5394
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0124	0.0771	0.0746
Loa Loa (eye worm)	hypothetical protein	0.006	0.0327	0.0638
Onchocerca volvulus		0.0124	0.0771	0.3712
Brugia malayi	Pre-SET motif family protein	0.0223	0.146	0.2854
Onchocerca volvulus		0.0161	0.1033	0.5167
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0053	0.0277	0.0957
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0092	0.3622
Brugia malayi	Peptidase family M1 containing protein	0.0286	0.1901	0.3715
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0137	0.0137
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0053	0.0277	0.0249
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.0152	0.0152
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0137	0.0109
Brugia malayi	Pre-SET motif family protein	0.0033	0.0137	0.0265
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0152	0.076
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.003	0.0117	0.0089
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0124	0.0124
Onchocerca volvulus		0.0093	0.0557	0.2519
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0056	0.0297	0.027
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0026	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0277	0.0539
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0289	0.0289
Onchocerca volvulus		0.0033	0.0137	0.0179
Trichomonas vaginalis	rotamase, putative	0.0033	0.0138	0.0139
Trypanosoma brucei	Aminopeptidase M1, putative	0.0084	0.0496	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0281	0.0548
Schistosoma mansoni	hypothetical protein	0.006	0.0324	0.0297
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0084	0.0496	0.0496
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0084	0.0496	0.2439
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0289	0.0563
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.003	0.0117	0.0117
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1082	0.2115
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0113	0.022
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0026	0.0092	0.0351
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0084	0.0496	1
Onchocerca volvulus		0.0084	0.0496	0.2181
Echinococcus granulosus	muscleblind protein	0.0311	0.2075	0.2075
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0032	0.0133	0.0133
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0026	0.0092	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0252	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1082	0.2115
Loa Loa (eye worm)	hypothetical protein	0.0173	0.111	0.2169
Loa Loa (eye worm)	hypothetical protein	0.0311	0.2075	0.4056
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.003	0.0117	0.1653
Schistosoma mansoni	hypothetical protein	0.006	0.0324	0.0297
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0084	0.0496	0.0496
Schistosoma mansoni	hypothetical protein	0.0181	0.1169	0.1144
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0032	0.0133	0.0258
Echinococcus multilocularis	neuropeptide receptor A26	0.0464	0.3138	0.3138
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0105	0.0203
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.003	0.0117	0.0117
Echinococcus multilocularis	expressed protein	0.0034	0.0144	0.0144
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0111	0.0685	0.0685
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0032	0.0133	0.0133
Loa Loa (eye worm)	mbt repeat family protein	0.0053	0.0277	0.0539
Echinococcus granulosus	glycoprotein Antigen 5	0.0032	0.0133	0.0133
Onchocerca volvulus		0.0053	0.0277	0.0957
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0152	0.076
Echinococcus multilocularis	lamin	0.0028	0.0105	0.0105
Schistosoma mansoni	hypothetical protein	0.032	0.2135	0.2113
Echinococcus granulosus	expressed protein	0.0034	0.0144	0.0144
Onchocerca volvulus		0.0032	0.0133	0.0159
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0771	0.1507
Schistosoma mansoni	cercarial elastase (S01 family)	0.0032	0.0133	0.0106
Brugia malayi	Trypsin family protein	0.0124	0.0771	0.1506
Brugia malayi	jmjC domain containing protein	0.0044	0.0214	0.0417
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0252	1
Loa Loa (eye worm)	hypothetical protein	0.0173	0.111	0.2169
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0092	0.3622
Echinococcus multilocularis	microtubule associated protein 2	0.1451	1	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0019	0.0041	0.158
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0041	0.0079
Echinococcus granulosus	lysine specific demethylase 5A	0.0044	0.0214	0.0214
Schistosoma mansoni	hypothetical protein	0.0022	0.0064	0.0036
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0093	0.0557	0.0557
Brugia malayi	hypothetical protein	0.0161	0.1033	0.2017
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0028	0.0052
Loa Loa (eye worm)	hypothetical protein	0.003	0.0117	0.0227
Entamoeba histolytica	hypothetical protein	0.0111	0.0685	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0056	0.0297	0.027
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0111	0.0685	0.0685
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0084	0.0496	0.0496
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0084	0.0496	0.0496
Echinococcus multilocularis	peregrin	0.0035	0.0152	0.0152
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.0797	0.1557
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1496	0.2924
Echinococcus granulosus	dnaJ subfamily B	0.0416	0.28	0.28
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.003	0.0117	0.0089
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0207	0.1353	0.1353
Loa Loa (eye worm)	hypothetical protein	0.003	0.0117	0.0227
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0032	0.0133	0.0133
Echinococcus multilocularis	geminin	0.0181	0.1169	0.1169
Echinococcus granulosus	enteropeptidase	0.0032	0.0133	0.0133
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0041	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1496	0.2924
Trichomonas vaginalis	rotamase, putative	0.0034	0.0144	0.0174
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0019	0.0041	0.158
Schistosoma mansoni	cpg binding protein	0.0031	0.0125	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0133	0.0259
Echinococcus granulosus	lamin dm0	0.0028	0.0105	0.0105
Onchocerca volvulus		0.0029	0.0113	0.0049
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0228	0.1496	0.1472
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0044	0.0214	0.0187
Echinococcus granulosus	Solute carrier family 22 5	0.1071	0.7358	0.7358
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0032	0.0133	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0133	0.0259
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0169	0.1082	0.2115
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0041	0.0041
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0093	0.0557	0.1087
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0105	0.0203
Brugia malayi	Bromodomain containing protein	0.0035	0.0152	0.0295
Loa Loa (eye worm)	jmjC domain-containing protein	0.0044	0.0214	0.0417
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.003	0.0117	0.1653
Schistosoma mansoni	hypothetical protein	0.0035	0.0152	0.0124
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0032	0.0133	0.0106
Brugia malayi	hypothetical protein	0.0111	0.0685	0.1338

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2 nM	Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.	ChEMBL.	10753476
Ki (binding)	= 4.8 nM	Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.	ChEMBL.	10753476
Ki (binding)	= 2500 nM	inhibitory activity on angiotensin I converting enzyme (ACE) using cbz-Phe-His-Leu as substrate.	ChEMBL.	10753476

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: CHEMBL1159942

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1129885