Detailed information for compound 24624

Basic information

Technical information
  • TDR Targets ID: 24624
  • Name: (3-nitrophenyl)boronic acid
  • MW: 166.927 | Formula: C6H6BNO4
  • H donors: 2 H acceptors: 4 LogP: 0.66 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OB(c1cccc(c1)[N+](=O)[O-])O
  • InChi: 1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
  • InChiKey: ZNRGSYUVFVNSAW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-Nitrophenylboronic Acid
  • 3-nitrobenzeneboronic acid
  • [3-(dihydroxyamino)phenyl]boronic acid
  • 13331-27-6
  • NPB
  • NSC401539
  • BRN 2938638
  • 4-16-00-01670 (Beilstein Handbook Reference)
  • NSC 59739
  • BM115
  • 325104_ALDRICH
  • NCGC00092010-01
  • Benzeneboronic acid, m-nitro-
  • Boronic acid, (3-nitrophenyl)-
  • NSC59739
  • WLN: WNR CBQQ
  • m-Nitrobenzeneboronic acid
  • m-Nitrophenylboronic acid
  • AI3-60393
  • ST5405806

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus licheniformis Subtilisin Starlite/ChEMBL No references
Bacillus lentus Subtilisin Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two subtilisin-like orfs similar to vacuolar protease B Get druggable targets OG5_128249 All targets in OG5_128249
Candida albicans one of two subtilisin-like orfs similar to vacuolar protease B Get druggable targets OG5_128249 All targets in OG5_128249
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Cryptosporidium parvum serine protease, subtilase family, signal peptide Get druggable targets OG5_128249 All targets in OG5_128249
Candida albicans one of two subtilisin-like orfs similar to vacuolar protease B Get druggable targets OG5_128249 All targets in OG5_128249
Neospora caninum subtilase family serine protease, putative Get druggable targets OG5_128249 All targets in OG5_128249
Toxoplasma gondii subtilisin SUB9 Get druggable targets OG5_128249 All targets in OG5_128249
Candida albicans hypothetical protein Get druggable targets OG5_128249 All targets in OG5_128249
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum subtilase family serine protease, putative Subtilisin   269 aa 262 aa 30.5 %
Dictyostelium discoideum hypothetical protein Subtilisin   269 aa 288 aa 30.2 %
Dictyostelium discoideum peptidase S8 and S53 domain-containing protein Subtilisin   269 aa 294 aa 29.9 %
Plasmodium knowlesi subtilisin-like protease 2, putative Subtilisin   269 aa 283 aa 29.7 %
Dictyostelium discoideum hypothetical protein Subtilisin   269 aa 295 aa 28.8 %
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) Subtilisin   269 aa 281 aa 24.6 %
Onchocerca volvulus Subtilisin   269 aa 268 aa 26.1 %
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 Subtilisin   269 aa 299 aa 30.1 %
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Subtilisin   379 aa 382 aa 23.3 %
Onchocerca volvulus Subtilisin   269 aa 260 aa 25.8 %
Trypanosoma brucei subtilisin peptidase Subtilisin   269 aa 226 aa 26.1 %
Plasmodium falciparum subtilisin-like protease 2 Subtilisin   269 aa 283 aa 31.1 %
Plasmodium berghei subtilisin-like protease 2 Subtilisin   269 aa 234 aa 32.9 %
Neospora caninum subtilase family serine protease, putative Subtilisin   269 aa 216 aa 35.2 %
Loa Loa (eye worm) hypothetical protein Subtilisin   269 aa 263 aa 26.2 %
Echinococcus multilocularis Furin 1 Subtilisin   269 aa 264 aa 28.4 %
Toxoplasma gondii subtilisin SUB1 Subtilisin   269 aa 269 aa 32.7 %
Toxoplasma gondii subtilisin SUB11 Subtilisin   269 aa 243 aa 35.8 %
Mycobacterium leprae Possible secreted protease Subtilisin   269 aa 329 aa 29.8 %
Toxoplasma gondii subtilisin SUB12 Subtilisin   269 aa 293 aa 32.4 %
Neospora caninum subtilisin-like protease, putative Subtilisin   269 aa 243 aa 36.2 %
Loa Loa (eye worm) subtilase Subtilisin   269 aa 245 aa 26.1 %
Brugia malayi Subtilase family protein Subtilisin   269 aa 246 aa 26.4 %
Neospora caninum subtilase family serine protease, putative Subtilisin   269 aa 252 aa 29.4 %
Neospora caninum subtilisin-like serine protease, putative Subtilisin   269 aa 297 aa 32.3 %
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Subtilisin   269 aa 285 aa 24.9 %
Schistosoma mansoni site-1 peptidase (S08 family) Subtilisin   269 aa 314 aa 27.1 %
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Subtilisin   269 aa 251 aa 23.5 %
Brugia malayi endoprotease bli-4 precursor Subtilisin   269 aa 258 aa 26.0 %
Onchocerca volvulus Putative ATP-dependent RNA helicase Subtilisin   269 aa 246 aa 26.8 %
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) Subtilisin   269 aa 273 aa 26.0 %
Toxoplasma gondii subtilisin SUB2 Subtilisin   269 aa 256 aa 36.7 %
Trypanosoma brucei gambiense subtilisin-like serine peptidase, putative,serine peptidase, clan SB, family S8-like protein, putative Subtilisin   269 aa 262 aa 27.9 %
Loa Loa (eye worm) proprotein convertase 2 Subtilisin   269 aa 270 aa 27.4 %
Echinococcus multilocularis membrane bound transcription factor site 1 Subtilisin   269 aa 252 aa 29.0 %
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) Subtilisin   269 aa 302 aa 27.8 %
Dictyostelium discoideum hypothetical protein Subtilisin   269 aa 302 aa 26.5 %
Onchocerca volvulus Subtilisin   269 aa 270 aa 27.4 %
Plasmodium berghei subtilisin-like protease 3, putative Subtilisin   269 aa 287 aa 22.6 %
Toxoplasma gondii subtilisin SUB7 Subtilisin   269 aa 271 aa 36.5 %
Plasmodium berghei subtilisin-like protease 1 Subtilisin   269 aa 304 aa 28.9 %
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein Subtilisin   269 aa 310 aa 27.7 %
Neospora caninum hypothetical protein Subtilisin   269 aa 271 aa 36.9 %
Cryptosporidium parvum serine protease, subtilase family, signal peptide, putative Subtilisin   269 aa 231 aa 29.9 %
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Subtilisin   269 aa 258 aa 26.0 %
Plasmodium yoelii subtilisin-like protease 2 Subtilisin   269 aa 234 aa 32.5 %
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein Subtilisin   269 aa 262 aa 28.2 %
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) Subtilisin   269 aa 311 aa 28.0 %
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Subtilisin   269 aa 219 aa 24.7 %
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) Subtilisin   269 aa 316 aa 26.9 %
Plasmodium yoelii PfSUB-1 Subtilisin   269 aa 304 aa 29.6 %
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Subtilisin   269 aa 249 aa 22.9 %
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) Subtilisin   269 aa 299 aa 29.1 %
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 Subtilisin   269 aa 298 aa 28.5 %
Candida albicans one of two in tandem duplication Subtilisin   269 aa 222 aa 36.0 %
Toxoplasma gondii subtilisin SUB5 Subtilisin   269 aa 242 aa 32.6 %
Neospora caninum subtilisin-like protease TgSUB2, putative Subtilisin   269 aa 256 aa 36.7 %
Brugia malayi proprotein convertase 2 Subtilisin   269 aa 270 aa 27.4 %
Echinococcus granulosus neuroendocrine convertase 2 Subtilisin   269 aa 311 aa 25.4 %
Dictyostelium discoideum hypothetical protein Subtilisin   269 aa 271 aa 26.9 %
Candida albicans subtilisin-like endoprotease involved in processing C. albicans Sap2 Subtilisin   269 aa 251 aa 24.7 %
Trypanosoma cruzi subtilisin peptidase Subtilisin   269 aa 218 aa 28.0 %
Schistosoma japonicum PC3-like endoprotease variant B precursor, putative Subtilisin   269 aa 264 aa 26.9 %
Plasmodium vivax subtilisin-like serine protease, putative Subtilisin   269 aa 254 aa 27.2 %
Trypanosoma cruzi subtilisin-like serine peptidase, putative Subtilisin   269 aa 302 aa 28.1 %
Plasmodium vivax subtilisin-like protease 1 Subtilisin   269 aa 280 aa 29.3 %
Echinococcus granulosus membrane bound transcription factor site 1 Subtilisin   269 aa 263 aa 31.2 %
Leishmania mexicana subtilisin-like serine peptidase,serine peptidase, clan SB, family S8-like protein Subtilisin   269 aa 216 aa 25.0 %
Toxoplasma gondii subtilisin SUB4 Subtilisin   269 aa 308 aa 29.9 %
Toxoplasma gondii subtilisin SUB8 Subtilisin   269 aa 216 aa 34.7 %
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Subtilisin   269 aa 222 aa 22.1 %
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) Subtilisin   269 aa 251 aa 24.7 %
Echinococcus multilocularis neuroendocrine convertase 2 Subtilisin   269 aa 311 aa 25.4 %
Neospora caninum hypothetical protein Subtilisin   269 aa 265 aa 32.5 %
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) Subtilisin   269 aa 306 aa 25.5 %
Candida albicans subtilisin-like endoprotease involved in processing C. albicans Sap2 Subtilisin   269 aa 251 aa 24.7 %
Loa Loa (eye worm) hypothetical protein Subtilisin   269 aa 251 aa 30.3 %
Mycobacterium ulcerans membrane-anchored mycosin MycP3 Subtilisin   269 aa 312 aa 26.9 %
Dictyostelium discoideum hypothetical protein Subtilisin   269 aa 287 aa 30.3 %
Schistosoma japonicum ko:K01360 proprotein convertase subtilisin/kexin type 2 [EC3.4.21.94], putative Subtilisin   269 aa 311 aa 24.8 %
Trypanosoma brucei gambiense subtilisin-like serine peptidase,serine peptidase, clan SB, family S8-like protein, putative Subtilisin   269 aa 233 aa 26.2 %
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Subtilisin   269 aa 262 aa 23.3 %
Onchocerca volvulus Trehalose-phosphatase homolog Subtilisin   269 aa 251 aa 29.9 %
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase Subtilisin   269 aa 259 aa 23.2 %
Plasmodium falciparum subtilisin-like protease 1 Subtilisin   269 aa 308 aa 27.3 %
Toxoplasma gondii subtilisin SUB6 Subtilisin   269 aa 269 aa 28.3 %
Brugia malayi celfurPC protein Subtilisin   269 aa 263 aa 25.9 %
Plasmodium knowlesi subtilisin-like protease 1, putative Subtilisin   269 aa 307 aa 28.3 %
Echinococcus granulosus Furin 1 Subtilisin   269 aa 265 aa 27.9 %
Mycobacterium tuberculosis Membrane-anchored mycosin MycP1 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-1) Subtilisin   269 aa 334 aa 29.9 %
Brugia malayi Membrane-bound transcription factor site-1 protease precursor Subtilisin   269 aa 254 aa 31.9 %
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) Subtilisin   269 aa 228 aa 22.4 %
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 Subtilisin   269 aa 298 aa 28.9 %
Candida albicans second of two in tandem duplication Subtilisin   269 aa 253 aa 36.0 %
Plasmodium vivax subtilisin-like protease 2, putative Subtilisin   269 aa 234 aa 29.1 %
Trypanosoma cruzi subtilisin-like serine peptidase, putative Subtilisin   269 aa 302 aa 28.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei folylpolyglutamate synthase, putative 0.0226 0.2989 0.4712
Echinococcus granulosus thymidylate synthase 0.0357 0.5182 1
Brugia malayi FolC bifunctional protein 0.0226 0.2989 0.5767
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.0226 0.2989 0.5767
Echinococcus granulosus dihydrofolate reductase 0.0181 0.2225 0.4293
Loa Loa (eye worm) dihydrofolate reductase 0.0181 0.2225 0.4293
Brugia malayi dihydrofolate reductase family protein 0.0181 0.2225 0.4293
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0426 0.6342 1
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.0226 0.2989 0.2989
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0181 0.2225 0.4293
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3851 0.7431
Chlamydia trachomatis dihydrofolate reductase 0.0181 0.2225 0.5
Brugia malayi Dihydrofolate reductase 0.0181 0.2225 0.4293
Wolbachia endosymbiont of Brugia malayi phosphoribosylaminoimidazole synthetase 0.0142 0.1578 0.1578
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0181 0.2225 0.2225
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.017 0.2042 0.322
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0226 0.2989 0.5767
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.0644 1 1
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0226 0.2989 1
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0226 0.2989 0.4712
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase 0.0142 0.1578 0.1578
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0357 0.5182 0.5182
Loa Loa (eye worm) FolC protein 0.0226 0.2989 0.5767
Schistosoma mansoni folylpolyglutamate synthase 0.0226 0.2989 0.5767
Brugia malayi thymidylate synthase 0.0357 0.5182 1
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0226 0.2989 0.5767
Onchocerca volvulus 0.0142 0.1578 0.1186
Mycobacterium ulcerans thymidylate synthase 0.0357 0.5182 0.5182
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0426 0.6342 1
Echinococcus multilocularis thymidylate synthase 0.0357 0.5182 1
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0226 0.2989 0.4712
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0426 0.6342 1
Echinococcus multilocularis dihydrofolate reductase 0.0181 0.2225 0.4293
Treponema pallidum folylpolyglutamate synthetase (folC) 0.0226 0.2989 0.5
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.0226 0.2989 0.3272
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0226 0.2989 0.4636
Onchocerca volvulus 0.0357 0.5182 1
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0226 0.2989 0.5767
Loa Loa (eye worm) thymidylate synthase 0.0357 0.5182 1
Schistosoma mansoni dihydrofolate reductase 0.0181 0.2225 0.4293
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0226 0.2989 0.4712
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.0644 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0357 0.5182 1
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) 0.0142 0.1578 0.1578
Mycobacterium tuberculosis Hypothetical protein 0.017 0.2042 0.394
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt 0.0094 0.077 0.1485
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.0226 0.2989 0.2989
Toxoplasma gondii subtilisin SUB9 0.0593 0.9133 1
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0142 0.1578 0.3044
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0226 0.2989 0.5767
Trypanosoma cruzi folylpolyglutamate synthetase 0.0226 0.2989 0.4712
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0426 0.6342 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0426 0.6342 0.6944
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0181 0.2225 0.2225
Brugia malayi hypothetical protein 0.017 0.2042 0.394
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0357 0.5182 1
Leishmania major folylpolyglutamate synthetase 0.0226 0.2989 0.4712
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0426 0.6342 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 85 % Inhibition of Actinomadura sp. R39 penicillin-binding protein assessed as residual activity at 1000 uM preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)propionylsulfanyl]acetic acid and 5,5'-dithiobis(2-nitrobenzoic acid) ChEMBL. 19731939
Activity (binding) = 97 % Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2X assessed as residual activity at 1000 uM preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)propionylsulfanyl]acetic acid and 5,5'-dithiobis(2-nitrobenzoic acid) ChEMBL. 19731939
Activity (binding) = 107 % Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X assessed as residual activity at 1000 uM preincubated for 4 hrs before addition of substrate mixture of (R)-[2-(benzoylamino)propionylsulfanyl]acetic acid and 5,5'-dithiobis(2-nitrobenzoic acid) ChEMBL. 19731939
IC50 (binding) = 5 uM Compound was tested for its specificity against AmpC beta-lactamase ChEMBL. 9804697
IC50 (binding) = 5 uM Compound was tested for its specificity against AmpC beta-lactamase ChEMBL. 9804697
IC50 (binding) > 200 uM Compound was tested for its specificity against alpha-chymotrypsin ChEMBL. 9804697
IC50 (binding) > 200 uM Compound was tested for its specificity against beta-trypsin ChEMBL. 9804697
IC50 (functional) > 200 uM Compound was tested for its specificity against Elastase ChEMBL. 9804697
IC50 (binding) > 200 uM Compound was tested for its specificity against alpha-chymotrypsin ChEMBL. 9804697
IC50 (binding) > 200 uM Compound was tested for its specificity against beta-trypsin ChEMBL. 9804697
IC50 (functional) > 200 uM Compound was tested for its specificity against Elastase ChEMBL. 9804697
Ka (binding) = 6110 M-1 Binding constant of the compound with catechol dye alizarin red S in 0.1 M PBS buffer at the pH=7.5 ChEMBL. 14684290
Ki (binding) = 1.7 uM Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli ChEMBL. 12109906
Ki (binding) = 1.7 uM Inhibitory activity against E. coli AmpC beta-lactamase. ChEMBL. 9804697
Ki (binding) = 1.7 uM Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli ChEMBL. 12109906
Ki (binding) = 1.7 uM Inhibitory activity against E. coli AmpC beta-lactamase. ChEMBL. 9804697
Ki (binding) = 8 uM Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus ChEMBL. No reference
Ki (binding) = 8 uM Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus ChEMBL. No reference
Ki (binding) = 15 uM Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus ChEMBL. No reference
Ki (binding) = 15 uM Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus ChEMBL. No reference
Ki (binding) = 27 uM Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus ChEMBL. No reference
Ki (binding) = 27 uM Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus ChEMBL. No reference
Ki (binding) = 38 uM Competitive inhibition of Subtilisin BL M222C-mutated enzyme from B. lentus ChEMBL. No reference
Ki (binding) = 38 uM Competitive inhibition of Subtilisin BL M222C-mutated enzyme from B. lentus ChEMBL. No reference
Ki (binding) = 121 uM Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli ChEMBL. No reference
Ki (binding) = 121 uM Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli ChEMBL. No reference

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

3 literature references were collected for this gene.

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