Detailed information for compound 420841

Basic information

Technical information
  • TDR Targets ID: 420841
  • Name: 5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5 -dioxopyrazolidin-4-ylidene]methyl]furan-2-yl ]benzoic acid
  • MW: 522.132 | Formula: C21H11BrCl2N2O5
  • H donors: 2 H acceptors: 4 LogP: 5.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc(c(c1)C(=O)O)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C21H11BrCl2N2O5/c22-10-1-4-13(14(7-10)21(29)30)18-6-3-12(31-18)9-15-19(27)25-26(20(15)28)11-2-5-16(23)17(24)8-11/h1-9H,(H,25,27)(H,29,30)/b15-9-
  • InChiKey: BCBVPTZIDSXEEJ-DHDCSXOGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid
  • 5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-furyl]benzoic acid
  • 5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
  • 5-bromo-2-[5-[(Z)-[1-(3,4-dichlorophenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid
  • AN-465/40811452

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) Shikimate kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Shikimate kinase AroK (SK) Get druggable targets OG5_130547 All targets in OG5_130547
Mycobacterium leprae Shikimate kinase AroK (SK) Get druggable targets OG5_130547 All targets in OG5_130547
Chlamydia trachomatis shikimate kinase Get druggable targets OG5_130547 All targets in OG5_130547
Mycobacterium ulcerans shikimate kinase Get druggable targets OG5_130547 All targets in OG5_130547
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Treponema pallidum bifunctional methionine sulfoxide reductase B/A protein Shikimate kinase   162 aa 135 aa 23.7 %
Candida albicans similar to S. cerevisiae ARO1 pentafunctional aromatic amino acid family biosynthesis protein Shikimate kinase   162 aa 150 aa 25.3 %
Schistosoma mansoni signal recognition particle 54 kD protein Shikimate kinase   162 aa 145 aa 21.4 %
Candida albicans similar to S. cerevisiae ARO1 pentafunctional aromatic amino acid family biosynthesis protein Shikimate kinase   162 aa 150 aa 25.3 %
Leishmania braziliensis nucleotide binding protein-like protein Shikimate kinase   162 aa 132 aa 28.0 %
Onchocerca volvulus Shikimate kinase   162 aa 152 aa 25.0 %
Schistosoma mansoni hypothetical protein Shikimate kinase   162 aa 150 aa 23.3 %
Plasmodium falciparum adenylate kinase-like protein 1 Shikimate kinase   162 aa 136 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis neuropeptides capa receptor 0.0097 0 0.5
Schistosoma mansoni amine GPCR 0.0097 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0097 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0097 0 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0097 0 0.5
Schistosoma mansoni opsin-like receptor 0.0097 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0097 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0097 0 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0097 0 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0097 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0097 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0097 0 0.5
Schistosoma mansoni opsin-like receptor 0.0097 0 0.5
Brugia malayi Dopamine receptor protein 1 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0097 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0097 0 0.5
Brugia malayi neuropeptide F receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0097 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0097 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0097 0 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0097 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0097 0 0.5
Brugia malayi G-protein coupled receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Schistosoma mansoni hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0097 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0097 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0097 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0097 0 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0097 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0097 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0097 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0097 0 0.5
Echinococcus granulosus allatostatin A receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0097 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0097 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0097 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0097 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0097 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis serotonin receptor 0.0097 0 0.5
Schistosoma mansoni histamine h1 receptor 0.0097 0 0.5
Schistosoma mansoni opsin-like receptor 0.0097 0 0.5
Brugia malayi RE15519p 0.0097 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0097 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0097 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0097 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0097 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Brugia malayi Serotonin receptor 0.0097 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0097 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0097 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0097 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0097 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0097 0 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0097 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0097 0 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0097 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0097 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0097 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0097 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0097 0 0.5
Mycobacterium ulcerans shikimate kinase 0.0208 1 0.5
Brugia malayi follicle stimulating hormone receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0097 0 0.5
Schistosoma mansoni amine GPCR 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Mycobacterium leprae Shikimate kinase AroK (SK) 0.0208 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0097 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0097 0 0.5
Brugia malayi sulfakinin receptor protein 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus granulosus serotonin receptor 0.0097 0 0.5
Schistosoma mansoni amine GPCR 0.0097 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Echinococcus granulosus sex peptide receptor 0.0097 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0097 0 0.5
Brugia malayi neuropeptide F receptor 0.0097 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0097 0 0.5
Schistosoma mansoni hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0097 0 0.5
Brugia malayi putative neuropeptide receptor 0.0097 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0097 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0097 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Brugia malayi AKH receptor 0.0097 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0097 0 0.5
Brugia malayi ORL1-like opioid receptor 0.0097 0 0.5
Echinococcus granulosus somatostatin receptor 0.0097 0 0.5
Echinococcus granulosus hypothetical protein 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0097 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0097 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Brugia malayi hypothetical protein 0.0097 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0097 0 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0097 0 0.5
Schistosoma mansoni myosin xvIII 0.0097 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0097 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0097 0 0.5
Brugia malayi Dopamine receptor protein 2 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0097 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0097 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0097 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0097 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Brugia malayi Dopamine receptor 0.0097 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0097 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0097 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0097 0 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0097 0 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0097 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0097 0 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0097 0 0.5
Brugia malayi G protein-coupled receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0097 0 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0097 0 0.5
Schistosoma mansoni hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0097 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0097 0 0.5
Schistosoma mansoni amine GPCR 0.0097 0 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0097 0 0.5
Schistosoma mansoni adenoreceptor 0.0097 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0097 0 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0097 0 0.5
Brugia malayi G-protein coupled receptor 0.0097 0 0.5
Brugia malayi Melatonin receptor type 1A 0.0097 0 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0097 0 0.5
Schistosoma mansoni amine GPCR 0.0097 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0097 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0097 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0097 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0097 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0097 0 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0097 0 0.5
Brugia malayi larval opioid receptor 0.0097 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0097 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Mycobacterium tuberculosis Shikimate kinase AroK (SK) 0.0208 1 0.5
Brugia malayi Serotonin receptor 0.0097 0 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0097 0 0.5
Onchocerca volvulus 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0097 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0097 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0097 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Brugia malayi GnHR receptor homolog 0.0097 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0097 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0097 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0097 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0097 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0097 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0 0.5
Echinococcus multilocularis serotonin receptor 0.0097 0 0.5
Schistosoma mansoni hypothetical protein 0.0097 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.4 uM Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay ChEMBL. 17098431
IC50 (binding) = 6.4 uM Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay ChEMBL. 17098431
Kd (binding) = 3.74 uM Binding affinity to Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by SPR assay ChEMBL. 17098431
Kd (binding) = 3.74 uM Binding affinity to Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by SPR assay ChEMBL. 17098431
Ki (binding) = 2.19 uM Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay ChEMBL. 17098431
Ki (binding) = 2.19 uM Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay ChEMBL. 17098431
Ki (binding) = 7.92 uM Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presence of varying MgATP levels by double coupled assay ChEMBL. 17098431
Ki (binding) = 7.92 uM Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presence of varying MgATP levels by double coupled assay ChEMBL. 17098431

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

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.