TDR Targets

Basic information

Technical information

TDR Targets ID: 331795
Name: [(2R,3S)-3-[4,4-bis(4-hydroxyphenyl)pentanoyl amino]-4-[(2S)-2-carbamoyl-2,5-dihydropyrrol- 1-yl]-4-oxobutan-2-yl] dihydrogen phosphate
MW: 561.521 | Formula: C26H32N3O9P
H donors: 6 H acceptors: 8 LogP: 0.67 Rotable bonds: 13
Rule of 5 violations (Lipinski): 3
SMILES: O=C(N[C@H](C(=O)N1CC=C[C@H]1C(=O)N)[C@H](OP(=O)(O)O)C)CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C
InChi: 1S/C26H32N3O9P/c1-16(38-39(35,36)37)23(25(34)29-15-3-4-21(29)24(27)33)28-22(32)13-14-26(2,17-5-9-19(30)10-6-17)18-7-11-20(31)12-8-18/h3-12,16,21,23,30-31H,13-15H2,1-2H3,(H2,27,33)(H,28,32)(H2,35,36,37)/t16-,21+,23+/m1/s1
InChiKey: GPILEOZKADFFQU-HNKPZJSLSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

[(1R,2S)-2-[4,4-bis(4-hydroxyphenyl)pentanoylamino]-3-[(2S)-2-carbamoyl-2,5-dihydropyrrol-1-yl]-1-methyl-3-oxo-propyl] dihydrogen phosphate
[(1R,2S)-2-[[4,4-bis(4-hydroxyphenyl)-1-oxopentyl]amino]-3-[(2S)-2-carbamoyl-2,5-dihydropyrrol-1-yl]-1-methyl-3-oxopropyl] dihydrogen phosphate
[(2R,3S)-4-[(2S)-2-aminocarbonyl-2,5-dihydropyrrol-1-yl]-3-[4,4-bis(4-hydroxyphenyl)pentanoylamino]-4-oxo-butan-2-yl] dihydrogen phosphate
[(1R,2S)-2-[4,4-bis(4-hydroxyphenyl)pentanoylamino]-3-[(2S)-2-carbamoyl-3-pyrrolin-1-yl]-3-keto-1-methyl-propyl] dihydrogen phosphate

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

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

By sequence similarity to non orthologous known druggable targets

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0028	0.0545	0.049
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1222	0.191
Trypanosoma cruzi	p450 reductase, putative	0.0028	0.0547	0.0878
Echinococcus granulosus	carbonic anhydrase	0.0028	0.0545	0.0799
Echinococcus granulosus	FTZ F1 alpha	0.0023	0.0342	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0342	0.0286
Leishmania major	cytochrome P450 reductase, putative	0.0025	0.0422	0.0571
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0017	0.0125	0.0063
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0028	0.0545	0.049
Leishmania major	carbonic anhydrase-like protein	0.0122	0.4271	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0125	0.0125
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0085	0.2817	0.4527
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0044	0.1185	0.2439
Loa Loa (eye worm)	carboxylesterase	0.0017	0.0125	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0342	0.0286
Brugia malayi	Carboxylesterase family protein	0.0017	0.0125	0.0068
Giardia lamblia	Nitric oxide synthase, inducible	0.0025	0.0422	0.2341
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0023	0.0342	0.0286
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.036	0.0304
Schistosoma mansoni	hypothetical protein	0.017	0.6155	0.6155
Echinococcus multilocularis	carbonic anhydrase	0.0028	0.0545	0.0799
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.036	0.0234
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0044	0.1185	0.2439
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0023	0.0342	0.0466
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0023	0.0342	0.0466
Toxoplasma gondii	peptidylprolyl isomerase	0.0039	0.1	0.8144
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0068
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0122	0.4271	0.4238
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0044	0.1185	0.1849
Loa Loa (eye worm)	hypothetical protein	0.0023	0.036	0.0304
Schistosoma mansoni	acetylcholinesterase	0.0017	0.0125	0.0125
Giardia lamblia	Synaptic glycoprotein SC2	0.0044	0.1185	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0023	0.0342	0.0342
Plasmodium vivax	flavodoxin domain containing protein	0.0025	0.0422	0.2781
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0023	0.0342	0.0466
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0017	0.0125	0.0063
Loa Loa (eye worm)	glutaminase 2	0.0267	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0342	0.0286
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0122	0.4271	0.4238
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0023	0.0342	0.0286
Trypanosoma brucei	carbonic anhydrase-like protein	0.0122	0.4271	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.036	0.0234
Brugia malayi	Carboxylesterase family protein	0.0017	0.0125	0.0068
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0342	0.0342
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0028	0.0545	0.049
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0342	0.0286
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0023	0.0342	0.0342
Entamoeba histolytica	hypothetical protein	0.0044	0.1185	1
Echinococcus multilocularis	acetylcholinesterase	0.0017	0.0125	0.011
Brugia malayi	FAD binding domain containing protein	0.0017	0.0125	0.0069
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0023	0.0342	0.0286
Entamoeba histolytica	hypothetical protein	0.0037	0.0889	0.7034
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0889	0.1365
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0023	0.0342	0.0286
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0342	0.0466
Schistosoma mansoni	hypothetical protein	0.0016	0.0057	0.0057
Schistosoma mansoni	hypothetical protein	0.0069	0.2186	0.2186
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0023	0.0342	0.1102
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0028	0.0547	0.0878
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.036	0.0304
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1382	0.1332
Echinococcus multilocularis	neuroligin	0.0017	0.0125	0.011
Loa Loa (eye worm)	hypothetical protein	0.0023	0.036	0.0304
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1222	0.1222
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.036	0.0234
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0342	0.0466
Echinococcus granulosus	ecdysone induced protein 78C	0.0023	0.0342	0.0466
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0028	0.0547	0.3968
Onchocerca volvulus		0.0023	0.036	0.1194
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0023	0.0342	0.0466
Mycobacterium ulcerans	hypothetical protein	0.0023	0.036	0.0234
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0122	0.4271	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1185	0.1134
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0039	0.1	0.1987
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0769	0.0716
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1222	0.1171
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0039	0.1	0.1987
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0023	0.0342	0.0466
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0545	0.049
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0044	0.1185	1
Brugia malayi	bZIP transcription factor family protein	0.0085	0.2817	0.2776
Schistosoma mansoni	gliotactin	0.0017	0.0125	0.0125
Loa Loa (eye worm)	steroid hormone receptor	0.0023	0.0342	0.0286
Echinococcus granulosus	para nitrobenzyl esterase	0.0017	0.0125	0.011
Echinococcus multilocularis	carboxylesterase 5A	0.0017	0.0125	0.011
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.036	0.5
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0189	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0068
Echinococcus granulosus	carboxylesterase 5A	0.0017	0.0125	0.011
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0068
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0044	0.1185	0.1134
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0189	0.0065
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0025	0.0422	0.0301
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0189	0.5
Entamoeba histolytica	hypothetical protein	0.0037	0.0889	0.7034
Echinococcus multilocularis	para nitrobenzyl esterase	0.0017	0.0125	0.011
Echinococcus multilocularis	ecdysone induced protein 78C	0.0023	0.0342	0.0466
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1382	0.1332
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.1037	0.0924
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1222	0.1222
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0023	0.0342	0.0466
Mycobacterium ulcerans	hypothetical protein	0.0044	0.1185	0.107
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0023	0.0342	0.0342
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.0342	0.0286
Onchocerca volvulus		0.0023	0.0342	0.1102
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0017	0.0125	0.011
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0342	0.0466
Mycobacterium ulcerans	carboxylesterase, LipT	0.0151	0.5414	0.5354
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0023	0.0342	0.0286
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.036	0.1715
Loa Loa (eye worm)	carboxylesterase	0.0017	0.0125	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0023	0.036	0.0304
Schistosoma mansoni	glutaminase	0.0267	1	1
Echinococcus multilocularis	geminin	0.017	0.6155	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1185	0.1134
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0028	0.0547	0.0878
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0028	0.0547	0.0804
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0044	0.1185	0.1074
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0342	0.0286
Brugia malayi	Carboxylesterase family protein	0.0017	0.0125	0.0068
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0342	0.0286
Giardia lamblia	Hypothetical protein	0.0025	0.0422	0.2341
Echinococcus multilocularis	carbonic anhydrase	0.0028	0.0545	0.0799
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0769	0.0716
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1222	0.191
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.036	0.1715
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0044	0.1185	0.1849
Loa Loa (eye worm)	carbonic anhydrase 3	0.0122	0.4271	0.4238
Schistosoma mansoni	RAR-like nuclear receptor	0.0023	0.0342	0.0342
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0342	0.0286
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.036	0.0234
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0044	0.1185	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1382	0.1332
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1222	0.191
Brugia malayi	Carboxylesterase family protein	0.0017	0.0125	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0068
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0122	0.4271	0.4238
Echinococcus granulosus	carbonic anhydrase	0.0028	0.0545	0.0799
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0125	0.0125
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0189	0.0575
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0039	0.1	0.1987
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1222	0.1222
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.036	0.0234
Schistosoma mansoni	carbonic anhydrase-related	0.0028	0.0545	0.0545
Echinococcus granulosus	BC026374 protein S09 family	0.0017	0.0125	0.011
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0189	0.0189
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.036	0.0234
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0023	0.0342	0.0466
Entamoeba histolytica	hypothetical protein	0.0037	0.0889	0.7034
Schistosoma mansoni	rotamase	0.004	0.1037	0.1037
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0023	0.0342	0.0286
Loa Loa (eye worm)	glutaminase	0.0267	1	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0547	0.0493
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0028	0.0547	0.0878
Schistosoma mansoni	hypothetical protein	0.0028	0.0545	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0545	0.049
Echinococcus granulosus	carbonic anhydrase	0.0028	0.0545	0.0799
Brugia malayi	nuclear hormone receptor	0.0023	0.0342	0.0286
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0044	0.1185	0.1074
Schistosoma mansoni	ap endonuclease	0.0019	0.0189	0.0189
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0044	0.1185	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0151	0.5414	1
Brugia malayi	flavodoxin family protein	0.0028	0.0547	0.0493
Schistosoma mansoni	hypothetical protein	0.017	0.6155	0.6155
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0028	0.0545	0.049
Plasmodium falciparum	nitric oxide synthase, putative	0.0028	0.0547	0.3968
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.036	0.1715
Loa Loa (eye worm)	carboxylesterase	0.0017	0.0125	0.0068
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0028	0.0547	0.0804
Echinococcus granulosus	acetylcholinesterase	0.0017	0.0125	0.011
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0023	0.0342	0.0286
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	0.2439
Schistosoma mansoni	retinoic acid receptor RXR	0.0023	0.0342	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0068
Echinococcus multilocularis	methionine synthase reductase	0.0017	0.0125	0.0112
Brugia malayi	steroid hormone receptor	0.0023	0.0342	0.0286
Echinococcus granulosus	neuroligin	0.0017	0.0125	0.011
Loa Loa (eye worm)	acetylcholinesterase 1	0.0017	0.0125	0.0068
Schistosoma mansoni	hypothetical protein	0.0016	0.0057	0.0057
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0128	0.007
Brugia malayi	FAD binding domain containing protein	0.0028	0.0547	0.0493
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0342	0.0286
Toxoplasma gondii	hypothetical protein	0.0028	0.0545	0.3572
Echinococcus multilocularis	FTZ F1 alpha	0.0023	0.0342	0.0466
Brugia malayi	hypothetical protein	0.0037	0.0889	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1185	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2725	0.2683
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0028	0.0547	0.0878
Schistosoma mansoni	hypothetical protein	0.0016	0.0057	0.0057
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0028	0.0545	0.049
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0023	0.0342	0.0286
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0189	0.0216
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0044	0.1185	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.036	0.0505
Schistosoma mansoni	hypothetical protein	0.0034	0.0769	0.0769
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0023	0.0342	0.0342
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1222	0.191
Echinococcus granulosus	expressed protein	0.004	0.1037	0.1608
Schistosoma mansoni	carbonic anhydrase	0.0028	0.0545	0.0545
Schistosoma mansoni	hypothetical protein	0.0016	0.0057	0.0057
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0017	0.0125	0.011
Trichomonas vaginalis	rotamase, putative	0.004	0.1037	0.0924
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0189	0.5
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.004	0.1037	0.0986
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0889	0.1365
Schistosoma mansoni	BC026374 protein (S09 family)	0.0017	0.0125	0.0125
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1222	0.1171
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0028	0.0545	0.049
Onchocerca volvulus		0.0067	0.2093	1
Schistosoma mansoni	nuclear hormone receptor	0.0023	0.0342	0.0342
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0028	0.0547	0.0878
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0017	0.0125	0.0125
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0189	0.0575
Echinococcus granulosus	synaptic glycoprotein sc2	0.0044	0.1185	0.1849
Plasmodium falciparum	carbonic anhydrase	0.0028	0.0545	0.3941
Plasmodium falciparum	polyprenol reductase, putative	0.0044	0.1185	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	0.1074
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0071
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	0.2439
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0342	0.0286
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0017	0.0125	0.0125
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0028	0.0547	0.0804
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0023	0.0342	0.0286
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0039	0.1	0.1987
Echinococcus granulosus	methionine synthase reductase	0.0017	0.0125	0.0112
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	0.2439
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0044	0.1185	0.1185
Plasmodium vivax	polyprenol reductase, putative	0.0044	0.1185	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0189	0.0061
Schistosoma mansoni	carbonic anhydrase-related	0.0028	0.0545	0.0545
Trichomonas vaginalis	sulfite reductase, putative	0.0028	0.0547	0.0428
Echinococcus multilocularis	carbonic anhydrase II	0.0122	0.4271	0.6911
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	0.1074
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0071
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0085	0.2817	0.4527
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0889	0.0889
Schistosoma mansoni	coup transcription factor	0.0023	0.0342	0.0342
Echinococcus granulosus	carbonic anhydrase II	0.0122	0.4271	0.6911
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.036	0.0418
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0342	0.0342
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0028	0.0547	0.0878
Brugia malayi	Carboxylesterase family protein	0.0017	0.0125	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0068
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0028	0.0547	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0068
Echinococcus granulosus	acetylcholinesterase	0.0017	0.0125	0.011
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0125	0.0125
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0342	0.0466
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0023	0.0342	0.0466
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0189	0.0132
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0028	0.0547	0.0804
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0044	0.1185	0.1849
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0342	0.0286
Schistosoma mansoni	jun-related protein	0.0069	0.2186	0.2186
Entamoeba histolytica	hypothetical protein	0.0037	0.0889	0.7034
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0122	0.4271	0.4271
Trichomonas vaginalis	glutaminase, putative	0.0267	1	1
Brugia malayi	nuclear receptor NHR-88	0.0023	0.0342	0.0286
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0044	0.1185	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	0.1074
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0044	0.1185	1
Brugia malayi	ecdysteroid receptor	0.0023	0.0342	0.0286
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0023	0.0342	0.0342
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.036	0.0304
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0028	0.0547	0.0425
Brugia malayi	Carboxylesterase family protein	0.0017	0.0125	0.0068
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0023	0.0342	0.0286
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0044	0.1185	0.1074
Onchocerca volvulus	Bile acid receptor homolog	0.0023	0.0342	0.1102
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.036	0.0418
Echinococcus granulosus	jun protein	0.0085	0.2817	0.4527
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0023	0.0342	0.0466
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0044	0.1185	0.1185
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.004	0.1037	0.0986
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.1185	0.1074
Brugia malayi	photoreceptor-specific nuclear receptor	0.0023	0.0342	0.0286
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.036	0.0505
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0017	0.0125	0.0069
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.1185	0.1074
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0189	0.0132
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0017	0.0125	0.0125
Echinococcus granulosus	geminin	0.017	0.6155	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0122	0.4271	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0023	0.0342	0.0286
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	0.1074
Onchocerca volvulus		0.0044	0.1185	0.5386
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0023	0.0342	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0342	0.0286
Echinococcus multilocularis	carbonic anhydrase	0.0028	0.0545	0.0799
Onchocerca volvulus	Protein ultraspiracle homolog	0.0023	0.0342	0.1102
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0028	0.0547	0.0878
Leishmania major	p450 reductase, putative	0.0028	0.0547	0.0878
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0342	0.0286
Trichomonas vaginalis	rotamase, putative	0.0039	0.1	0.0886
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.036	0.0418
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0342	0.0286
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0039	0.1	0.8144
Echinococcus multilocularis	jun protein	0.0085	0.2817	0.4527
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1382	0.1332
Echinococcus multilocularis	acetylcholinesterase	0.0017	0.0125	0.011
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0342	0.0286
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0023	0.0342	0.0342
Brugia malayi	Synaptic glycoprotein SC2	0.0044	0.1185	0.1134
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0023	0.0342	0.0286
Schistosoma mansoni	hypothetical protein	0.0037	0.0889	0.0889
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.036	0.0234
Mycobacterium ulcerans	glutaminase	0.0267	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0068
Brugia malayi	Steroid receptor seven-up type 2	0.0023	0.0342	0.0286
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0023	0.0342	0.0286
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0189	0.0065
Schistosoma mansoni	cytochrome P450 reductase	0.0028	0.0547	0.0547
Brugia malayi	hypothetical protein	0.0067	0.2093	0.2048
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0028	0.0547	0.0493
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0023	0.0342	0.0286
Brugia malayi	hypothetical protein	0.0017	0.0125	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0071
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0189	0.0216
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0023	0.0342	0.0466
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0017	0.0125	0.011
Echinococcus multilocularis	expressed protein	0.004	0.1037	0.1608
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.1185	0.2439
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0545	0.049
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0122	0.4271	0.4271
Schistosoma mansoni	carbonic anhydrase-related	0.0028	0.0545	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.0071
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0128	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 5 uM	Dissociation constant for human peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	ChEMBL.	16033261
Kd (binding)	= 5 uM	Dissociation constant for human peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	ChEMBL.	16033261

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

PubChem: 11398877

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 331795