Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | UDP-3-O-acyl-GlcNAc deacetylase | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target/s | Ortholog Group |
---|---|---|---|
Chlamydia trachomatis | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase | Get druggable targets OG5_132025 | All targets in OG5_132025 |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD | 0.0558 | 0.4321 | 0.5794 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsD | 0.0558 | 0.4321 | 0.5794 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks1 | 0.0403 | 0.2564 | 0.3438 |
Brugia malayi | Beta-ketoacyl synthase, N-terminal domain containing protein | 0.0558 | 0.4321 | 0.064 |
Mycobacterium tuberculosis | Probable multifunctional mycocerosic acid synthase membrane-associated Mas | 0.0593 | 0.4715 | 0.6322 |
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE | 0.0368 | 0.2173 | 0.2914 |
Mycobacterium tuberculosis | Probable membrane bound polyketide synthase Pks6 | 0.0835 | 0.7458 | 1 |
Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsA | 0.0558 | 0.4321 | 0.5794 |
Mycobacterium ulcerans | Type I modular polyketide synthase | 0.0558 | 0.4321 | 0.5794 |
Toxoplasma gondii | beta-ketoacyl synthase, N-terminal domain-containing protein | 0.0364 | 0.2122 | 0.2595 |
Mycobacterium tuberculosis | Polyketide synthase Pks12 | 0.0593 | 0.4715 | 0.6322 |
Mycobacterium ulcerans | polyketide synthase Pks9 | 0.0368 | 0.2173 | 0.2914 |
Mycobacterium ulcerans | polyketide synthase | 0.0593 | 0.4715 | 0.6322 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsC | 0.0593 | 0.4715 | 0.6322 |
Mycobacterium ulcerans | thioesterase TesA | 0.0467 | 0.3293 | 0.4415 |
Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsD | 0.0558 | 0.4321 | 0.5794 |
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB | 0.0448 | 0.3082 | 0.4133 |
Mycobacterium leprae | Probable polyketide synthase Pks1 | 0.0593 | 0.4715 | 0.6322 |
Loa Loa (eye worm) | AMP-binding enzyme family protein | 0.0524 | 0.3933 | 0.3903 |
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC | 0.0593 | 0.4715 | 0.6322 |
Toxoplasma gondii | type I fatty acid synthase, putative | 0.0399 | 0.2522 | 0.3738 |
Loa Loa (eye worm) | fatty acid synthase | 0.0553 | 0.4265 | 0.4334 |
Mycobacterium tuberculosis | Phenolpthiocerol synthesis type-I polyketide synthase PpsC | 0.0558 | 0.4321 | 0.5794 |
Mycobacterium leprae | PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA | 0.0558 | 0.4321 | 0.5794 |
Mycobacterium ulcerans | Type I modular polyketide synthase | 0.0558 | 0.4321 | 0.5794 |
Loa Loa (eye worm) | hypothetical protein | 0.0939 | 0.8633 | 1 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsA | 0.0448 | 0.3082 | 0.4133 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsB | 0.0448 | 0.3082 | 0.4133 |
Mycobacterium ulcerans | Type I modular polyketide synthase | 0.0558 | 0.4321 | 0.5794 |
Onchocerca volvulus | Fatty acid synthase homolog | 0.101 | 0.944 | 1 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks15 | 0.0227 | 0.0572 | 0.0768 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks8 | 0.0456 | 0.3166 | 0.4245 |
Mycobacterium ulcerans | polyketide synthase Pks13 | 0.0835 | 0.7458 | 1 |
Onchocerca volvulus | 0.0976 | 0.9046 | 0.9285 | |
Mycobacterium leprae | PROBABLE THIOESTERASE TESA | 0.0467 | 0.3293 | 0.4415 |
Mycobacterium tuberculosis | Probable thioesterase TesA | 0.0467 | 0.3293 | 0.4415 |
Mycobacterium tuberculosis | Polyketide synthase Pks2 | 0.0543 | 0.4155 | 0.5572 |
Mycobacterium tuberculosis | Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) | 0.0524 | 0.3933 | 0.5274 |
Mycobacterium leprae | Polyketide synthase Pks13 | 0.0835 | 0.7458 | 1 |
Mycobacterium tuberculosis | Polyketide synthase Pks13 | 0.0835 | 0.7458 | 1 |
Mycobacterium leprae | Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas | 0.0593 | 0.4715 | 0.6322 |
Loa Loa (eye worm) | hypothetical protein | 0.0312 | 0.1533 | 0.0789 |
Mycobacterium ulcerans | phenolpthiocerol synthesis type-I polyketide synthase PpsE | 0.0368 | 0.2173 | 0.2914 |
Mycobacterium ulcerans | polyketide synthase | 0.0558 | 0.4321 | 0.5794 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks7 | 0.0593 | 0.4715 | 0.6322 |
Mycobacterium ulcerans | multifunctional mycocerosic acid synthase membrane-associated Mas | 0.0593 | 0.4715 | 0.6322 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks9 | 0.0319 | 0.1613 | 0.2163 |
Toxoplasma gondii | type I fatty acid synthase, putative | 0.0593 | 0.4715 | 1 |
Mycobacterium tuberculosis | Probable polyketide synthase Pks5 | 0.0543 | 0.4155 | 0.5572 |
Chlamydia trachomatis | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase | 0.0871 | 0.7865 | 0.5 |
Mycobacterium ulcerans | thioesterase | 0.0467 | 0.3293 | 0.4415 |
Mycobacterium tuberculosis | Polyketide synthetase MbtC (polyketide synthase) | 0.019 | 0.0159 | 0.0214 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 3.84 nM | BindingDB_Patents: Enzyme Assay. IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening LpxC (UDP-3-O(R-3-hydroxymyristoyl)-GlcNAc deacetylase) using BioTrove Rapid Fire HTS Mass Spectrometry (aNew Lead Discovery and bInflammation and Infectious Disease, cStructural Chemistry, Schering-Plough Research Institute, Kenilworth, N.J. 07033, (BioTrove, Inc. 12 Gill St., Suite 4000, Woburn, Mass. 01801). Briefly, Pseudomonas aeruginosa LpxC enzyme (0.1 nM) purified from E. coli-overexpressing bacteria was incubated at 25° C. in a final volume of 50 ul containing 0.5 uM UDP-3-O(R-3-hydroxydecanoyl)-N-acetylglucosamine, 1 mg/mL BSA, and 50 mM sodium phosphate buffer, pH 8.0 in the presence and absence of inhibitor compound. At the end of 1 hour, 5 ul of 1N HCl was added to stop the enzyme reaction; the plates were centrifuged, and then processed with the BioTrove Rapidfire HTMS Mass Spectrometry System. | ChEMBL. | No reference |
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.