Detailed information for compound 328075

Basic information

Technical information
  • TDR Targets ID: 328075
  • Name: (2S)-3-methyl-2-[[4-[4-(thiadiazole-4-carbony lamino)phenyl]phenyl]sulfonylamino]butanoic a cid
  • MW: 460.527 | Formula: C20H20N4O5S2
  • H donors: 3 H acceptors: 7 LogP: 3.16 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nnsc1)Nc1ccc(cc1)c1ccc(cc1)S(=O)(=O)N[C@H](C(=O)O)C(C)C
  • InChi: 1S/C20H20N4O5S2/c1-12(2)18(20(26)27)23-31(28,29)16-9-5-14(6-10-16)13-3-7-15(8-4-13)21-19(25)17-11-30-24-22-17/h3-12,18,23H,1-2H3,(H,21,25)(H,26,27)/t18-/m0/s1
  • InChiKey: WOYRNWQVZJJWTK-SFHVURJKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-3-methyl-2-[[4-[4-[[oxo(4-thiadiazolyl)methyl]amino]phenyl]phenyl]sulfonylamino]butanoic acid
  • (2S)-3-methyl-2-[[4-[4-(1,2,3-thiadiazol-4-ylcarbonylamino)phenyl]phenyl]sulfonylamino]butanoic acid
  • (2S)-3-methyl-2-[[4-[4-(thiadiazole-4-carbonylamino)phenyl]phenyl]sulfonylamino]butyric acid
  • (2S)-3-methyl-2-[[4-[4-[[oxo-(4-thiadiazolyl)methyl]amino]phenyl]phenyl]sulfonylamino]butanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) Starlite/ChEMBL References
Bos taurus Matrix metalloproteinase 13 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Matrix metalloproteinase 13   471 aa 453 aa 29.8 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family Matrix metalloproteinase 13   471 aa 448 aa 34.6 %
Drosophila melanogaster Matrix metalloproteinase 1 Matrix metalloproteinase 13   471 aa 476 aa 37.8 %
Onchocerca volvulus BCL7-like protein homolog Matrix metalloproteinase 13   471 aa 489 aa 27.8 %
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) Matrix metalloproteinase 13   471 aa 448 aa 34.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis thyroid hormone receptor alpha 0.0089 0.1034 0.1622
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0652 1
Echinococcus multilocularis FTZ F1 alpha 0.0089 0.1034 0.1622
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0042 0.0381 0.0408
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0089 0.1034 0.1862
Schistosoma mansoni nuclear hormone receptor 0.0042 0.0381 0.0686
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0089 0.1034 0.1622
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0652 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0089 0.1034 0.1107
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0318 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.005 0.0493 0.0887
Loa Loa (eye worm) hypothetical protein 0.0021 0.0084 0.009
Loa Loa (eye worm) hypothetical protein 0.0073 0.081 0.0866
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0089 0.1034 0.1107
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0047 0.0451 0.0812
Loa Loa (eye worm) hypothetical protein 0.0047 0.0456 0.0488
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0089 0.1034 0.1107
Echinococcus granulosus integrin beta 2 0.0473 0.6377 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Brugia malayi nuclear receptor RXR 0.0042 0.0381 0.0408
Brugia malayi Matrixin family protein 0.0047 0.0456 0.0488
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0089 0.1034 0.1622
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0318 0.0498
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0089 0.1034 0.1622
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0089 0.1034 0.1107
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0089 0.1034 0.1622
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0318 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0084 0.009
Echinococcus granulosus Ankyrin 0.0015 0.0002 0.0003
Echinococcus granulosus fibrillin 2 0.0021 0.0084 0.0132
Schistosoma mansoni hypothetical protein 0.0414 0.5555 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.1034 0.1107
Loa Loa (eye worm) hypothetical protein 0.0089 0.1034 0.1107
Brugia malayi steroid hormone receptor 0.0231 0.3013 0.3224
Echinococcus multilocularis integrin alpha ps 0.0067 0.0729 0.1144
Brugia malayi Integrin alpha pat-2 precursor 0.0312 0.4134 0.4423
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Mycobacterium leprae PROBABLE HYDROLASE 0.0058 0.06 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0089 0.1034 0.1862
Onchocerca volvulus Matrix metalloproteinase homolog 0.0105 0.1258 0.1258
Schistosoma mansoni retinoic acid receptor RXR 0.0189 0.2422 0.436
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0318 0.5
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.000000011732 0.000000018397
Loa Loa (eye worm) hypothetical protein 0.0047 0.0451 0.0483
Giardia lamblia Neurogenic locus notch-like protein 0.0021 0.0084 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0318 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0042 0.0381 0.0598
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Schistosoma mansoni nuclear receptor 0.0042 0.0381 0.0686
Loa Loa (eye worm) hypothetical protein 0.0047 0.0456 0.0488
Schistosoma mansoni steroid hormone receptor ad4bp 0.0089 0.1034 0.1862
Onchocerca volvulus 0.0089 0.1034 0.1034
Echinococcus granulosus integrin alpha 3 0.0239 0.3122 0.4895
Brugia malayi CXXC zinc finger family protein 0.0029 0.0202 0.0216
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0089 0.1034 0.1107
Brugia malayi Inositol-1 0.0037 0.0318 0.034
Brugia malayi nuclear hormone receptor 0.0687 0.9347 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0089 0.1034 0.1107
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0089 0.1034 0.1107
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0042 0.0381 0.0686
Onchocerca volvulus 0.0067 0.0731 0.0731
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0089 0.1034 0.1622
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0318 0.5
Schistosoma mansoni integrin alpha-ps 0.0073 0.081 0.1458
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0652 0.1023
Onchocerca volvulus Matrilysin homolog 0.0105 0.1258 0.1258
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0318 0.0498
Brugia malayi Matrixin family protein 0.0047 0.0456 0.0488
Loa Loa (eye worm) matrixin family protein 0.0105 0.1258 0.1346
Brugia malayi nuclear hormone receptor family member nhr-6 0.0042 0.0381 0.0408
Loa Loa (eye worm) inositol-1 0.0037 0.0318 0.034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Schistosoma mansoni cpg binding protein 0.0031 0.0225 0.0405
Schistosoma mansoni hypothetical protein 0.0067 0.0729 0.1313
Loa Loa (eye worm) hypothetical protein 0.0047 0.0451 0.0483
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0058 0.06 0.0642
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0058 0.06 0.8649
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0116 0.0124
Echinococcus granulosus ecdysone induced protein 78C 0.0089 0.1034 0.1622
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0042 0.0381 0.0686
Schistosoma mansoni thyroid hormone receptor 0.0089 0.1034 0.1862
Brugia malayi nuclear receptor NHR-88 0.0089 0.1034 0.1107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0089 0.1034 0.1107
Echinococcus multilocularis cpg binding protein 0.0031 0.0225 0.0353
Brugia malayi hypothetical protein 0.0097 0.1147 0.1227
Echinococcus multilocularis integrin alpha 3 0.0239 0.3122 0.4895
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.000000011732 0.000000021122
Loa Loa (eye worm) nuclear hormone receptor 0.0042 0.0381 0.0408
Brugia malayi Steroid receptor seven-up type 2 0.0089 0.1034 0.1107
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0089 0.1034 0.1862
Schistosoma mansoni coup transcription factor 0.0089 0.1034 0.1862
Brugia malayi hypothetical protein 0.0047 0.0451 0.0483
Giardia lamblia Tenascin-X 0.0021 0.0084 0.5
Schistosoma mansoni zinc finger protein 0.0042 0.0381 0.0686
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0236 0.3078 0.3293
Loa Loa (eye worm) integrin beta-2 0.0639 0.8679 0.9286
Brugia malayi Nuclear hormone receptor-like 1 0.0047 0.0451 0.0483
Schistosoma mansoni integrin beta subunit 0.0376 0.5028 0.9052
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Brugia malayi Kelch motif family protein 0.0097 0.1147 0.1227
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Giardia lamblia hypothetical protein 0.0021 0.0084 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0089 0.1034 0.1107
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0652 0.1174
Brugia malayi Nuclear hormone receptor-like 1 0.0047 0.0451 0.0483
Giardia lamblia Tenascin precursor 0.0021 0.0084 0.5
Giardia lamblia Tenascin-37 0.0021 0.0084 0.5
Echinococcus multilocularis fibrillin 2 0.0021 0.0084 0.0132
Brugia malayi nuclear hormone receptor family member odr-7 0.0042 0.0381 0.0408
Brugia malayi hypothetical protein 0.0042 0.0381 0.0408
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.0381 0.0598
Schistosoma mansoni integrin alpha-ps 0.014 0.1742 0.3135
Echinococcus multilocularis nuclear receptor nhr 48 0.0042 0.0381 0.0598
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0189 0.2422 0.3798
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0089 0.1034 0.1107
Schistosoma mansoni cpg binding protein 0.0031 0.0225 0.0405
Brugia malayi Matrixin family protein 0.0047 0.0456 0.0488
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Loa Loa (eye worm) hypothetical protein 0.0089 0.1034 0.1107
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0089 0.1034 0.1622
Brugia malayi EGF-like domain containing protein 0.0021 0.0084 0.009
Echinococcus multilocularis adam 0.0021 0.0084 0.0132
Brugia malayi hypothetical protein 0.0047 0.0451 0.0483
Loa Loa (eye worm) hypothetical protein 0.0097 0.1147 0.1227
Loa Loa (eye worm) matrixin family protein 0.0115 0.139 0.1487
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0318 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0089 0.1034 0.1622
Brugia malayi nuclear hormone receptor 0.0089 0.1034 0.1107
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0089 0.1034 0.1107
Loa Loa (eye worm) hypothetical protein 0.0047 0.0451 0.0483
Schistosoma mansoni nuclear receptor 0.0042 0.0381 0.0686
Echinococcus multilocularis fibrillin 1 0.0021 0.0084 0.0132
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0042 0.0381 0.0381
Onchocerca volvulus Bile acid receptor homolog 0.0089 0.1034 0.1034
Loa Loa (eye worm) hypothetical protein 0.0047 0.0451 0.0483
Loa Loa (eye worm) hypothetical protein 0.0021 0.0084 0.009
Onchocerca volvulus 0.0047 0.0456 0.0456
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Echinococcus granulosus FTZ F1 alpha 0.0089 0.1034 0.1622
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0652 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0142 0.1769 0.2773
Schistosoma mansoni thyroid hormone receptor 0.0089 0.1034 0.1862
Giardia lamblia High cysteine protein 0.0021 0.0084 0.5
Giardia lamblia Neurogenic locus Notch protein precursor 0.0021 0.0084 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0089 0.1034 0.1107
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0097 0.1147 0.1227
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0089 0.1034 0.1622
Loa Loa (eye worm) hypothetical protein 0.0089 0.1034 0.1107
Echinococcus granulosus fibrillin 1 0.0021 0.0084 0.0132
Echinococcus granulosus cpg binding protein 0.0031 0.0225 0.0353
Loa Loa (eye worm) hypothetical protein 0.0089 0.1034 0.1107
Schistosoma mansoni nuclear receptor nhr-48 0.0042 0.0381 0.0686
Brugia malayi Integrin beta pat-3 precursor 0.0639 0.8679 0.9286
Echinococcus multilocularis protein jagged 2 0.0021 0.0084 0.0132
Brugia malayi photoreceptor-specific nuclear receptor 0.0089 0.1034 0.1107
Brugia malayi nuclear receptor RXR 0.0047 0.0451 0.0483
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0042 0.0381 0.0598
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0089 0.1034 0.1622
Brugia malayi ecdysteroid receptor 0.0089 0.1034 0.1107
Echinococcus granulosus dnaJ subfamily B 0.0414 0.5555 0.871
Loa Loa (eye worm) DR-78 0.0042 0.0381 0.0408
Brugia malayi Nuclear hormone receptor E75 0.0042 0.0381 0.0408
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.000000011732 0.000000018397
Echinococcus granulosus thyroid hormone receptor alpha 0.0184 0.236 0.37
Schistosoma mansoni inositol monophosphatase 0.0037 0.0318 0.0572
Schistosoma mansoni RAR-like nuclear receptor 0.0089 0.1034 0.1862
Echinococcus granulosus Nuclear hormone receptor HR96 0.0042 0.0381 0.0598
Brugia malayi EGF-like domain containing protein 0.0021 0.0084 0.009
Brugia malayi Hemopexin family protein 0.0067 0.0731 0.0783
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0089 0.1034 0.1107
Schistosoma mansoni cpg binding protein 0.0029 0.0202 0.0363
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0047 0.0451 0.0483
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0563 0.8437
Brugia malayi conserved hypotetical protein 0.0042 0.0381 0.0408
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0089 0.1034 0.1107
Loa Loa (eye worm) hypothetical protein 0.0245 0.3202 0.3426
Loa Loa (eye worm) nuclear receptor NHR-67 0.0042 0.0381 0.0408
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0089 0.1034 0.1107
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0089 0.1034 0.1107
Brugia malayi Protein kinase domain containing protein 0.0015 0.000000011732 0.000000012553
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.3058 0.3271
Echinococcus multilocularis integrin beta 2 0.0473 0.6377 1
Schistosoma mansoni nuclear hormone receptor 0.0042 0.0381 0.0686
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0047 0.0451 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0089 0.1034 0.1107
Loa Loa (eye worm) matrix metalloproteinase 0.0047 0.0456 0.0488
Mycobacterium ulcerans hydrolase 0.0058 0.06 0.8429
Echinococcus multilocularis ecdysone induced protein 78C 0.0089 0.1034 0.1622
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Echinococcus granulosus adam 0.0021 0.0084 0.0132
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0047 0.0451 0.0812
Brugia malayi Cytochrome P450 family protein 0.0023 0.0116 0.0124
Loa Loa (eye worm) hypothetical protein 0.0067 0.0729 0.078
Brugia malayi EGF-like domain containing protein 0.0021 0.0084 0.009
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0687 0.9347 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.0381 0.0598
Loa Loa (eye worm) hypothetical protein 0.0021 0.0084 0.009
Loa Loa (eye worm) hypothetical protein 0.0236 0.3078 0.3293
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0652 1
Echinococcus granulosus integrin alpha ps 0.014 0.1742 0.2731
Echinococcus granulosus integrin alpha ps 0.0067 0.0729 0.1144
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0089 0.1034 0.1622
Brugia malayi follicle stimulating hormone receptor 0.0234 0.3058 0.3271
Brugia malayi tailless protein 0.0042 0.0381 0.0408
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0202 0.0216
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408
Onchocerca volvulus 0.0021 0.0084 0.0084
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0075 0.0834 0.1308
Brugia malayi hypothetical protein 0.0042 0.0381 0.0408
Loa Loa (eye worm) hypothetical protein 0.0058 0.06 0.0642
Loa Loa (eye worm) hypothetical protein 0.0089 0.1034 0.1107
Onchocerca volvulus Protein ultraspiracle homolog 0.0089 0.1034 0.1034
Schistosoma mansoni inositol monophosphatase 0.0037 0.0318 0.0572
Brugia malayi EGF-like domain containing protein 0.0021 0.0084 0.009
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0042 0.0381 0.0598
Loa Loa (eye worm) hypothetical protein 0.0172 0.219 0.2343
Giardia lamblia High cysteine protein 0.0021 0.0084 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0042 0.0381 0.0598
Schistosoma mansoni hypothetical protein 0.0067 0.0731 0.1317
Echinococcus multilocularis integrin alpha ps 0.014 0.1742 0.2731
Onchocerca volvulus 0.0042 0.0381 0.0381
Brugia malayi ecdysone receptor 0.0042 0.0381 0.0408
Brugia malayi nuclear receptor NHR-88 0.0042 0.0381 0.0408
Brugia malayi Nuclear hormone receptor E75 0.0042 0.0381 0.0408
Onchocerca volvulus Matrilysin homolog 0.0047 0.0456 0.0456
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0089 0.1034 0.1107
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0652 1
Onchocerca volvulus 0.0042 0.0381 0.0381
Loa Loa (eye worm) hypothetical protein 0.0645 0.8763 0.9376
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0042 0.0381 0.0381
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0089 0.1034 0.1622
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0042 0.0381 0.0598
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0318 1
Schistosoma mansoni nuclear hormone receptor 0.0089 0.1034 0.1862
Onchocerca volvulus 0.0029 0.0202 0.0202
Brugia malayi Matrixin family protein 0.0115 0.139 0.1487
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0652 0.1023
Echinococcus multilocularis integrin alpha ps 0.014 0.1742 0.2731
Echinococcus multilocularis Ankyrin 0.0015 0.0002 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0089 0.1034 0.1107
Brugia malayi Nuclear hormone receptor-like 1 0.0089 0.1034 0.1107
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0089 0.1034 0.1622
Brugia malayi Death domain containing protein 0.0015 0.000000011732 0.000000012553
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0089 0.1034 0.1107
Brugia malayi Uncoordinated protein 44 0.0015 0.000000011732 0.000000012553
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0652 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0652 0.1174
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0655 0.1179
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0172 0.2192 0.3437
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0089 0.1034 0.1107
Loa Loa (eye worm) hypothetical protein 0.0089 0.1034 0.1107
Echinococcus granulosus nuclear factor of activated T cells 5 0.0075 0.0834 0.1308
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0047 0.0451 0.0707
Loa Loa (eye worm) hypothetical protein 0.0047 0.0456 0.0488
Giardia lamblia Tenascin-like 0.0021 0.0084 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0318 0.411
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0047 0.0456 0.0821
Loa Loa (eye worm) steroid hormone receptor 0.0231 0.3013 0.3224
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0172 0.2192 0.3437
Echinococcus multilocularis dnaJ subfamily B 0.0414 0.5555 0.871
Brugia malayi Matrixin family protein 0.0047 0.0456 0.0488
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0089 0.1034 0.1862
Brugia malayi nuclear receptor NHR-67 0.0042 0.0381 0.0408
Brugia malayi orphan nuclear receptor NR2E1 0.0042 0.0381 0.0408
Schistosoma mansoni integrin alpha 0.0312 0.4134 0.7442
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0089 0.1034 0.1862
Echinococcus granulosus nuclear receptor nhr 48 0.0042 0.0381 0.0598
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0318 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0089 0.1034 0.1862
Loa Loa (eye worm) integrin alpha pat-2 0.0481 0.6482 0.6935
Loa Loa (eye worm) hypothetical protein 0.0047 0.0451 0.0483
Loa Loa (eye worm) hypothetical protein 0.0042 0.0381 0.0408

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.14 nM Inhibitory concentration against MMP-2 ChEMBL. 16005220
IC50 (binding) = 2.14 nM Inhibitory concentration against MMP-2 ChEMBL. 16005220
IC50 (binding) = 10.9 nM Inhibitory concentration against MMP-13 of bovine articular cartilage explants ChEMBL. 16005220
IC50 (binding) = 10.9 nM Inhibitory concentration against MMP-13 of bovine articular cartilage explants ChEMBL. 16005220

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.