Detailed information for compound 1935292

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 470.797 | Formula: C21H18Cl3NO3S
  • H donors: 2 H acceptors: 3 LogP: 5.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)Cc1ccc(c(c1)SC1=C(O)CC(CC1=O)c1c(Cl)cccc1Cl)Cl
  • InChi: 1S/C21H18Cl3NO3S/c1-25-19(28)8-11-5-6-13(22)18(7-11)29-21-16(26)9-12(10-17(21)27)20-14(23)3-2-4-15(20)24/h2-7,12,26H,8-10H2,1H3,(H,25,28)
  • InChiKey: QHYSMIOOUKHFGX-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens malate dehydrogenase 2, NAD (mitochondrial) Starlite/ChEMBL References
Homo sapiens malate dehydrogenase 1, NAD (soluble) Starlite/ChEMBL References
Homo sapiens lactate dehydrogenase C Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Plasmodium falciparum malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis L lactate dehydrogenase B chain Get druggable targets OG5_126911 All targets in OG5_126911
Cryptosporidium hominis lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Cryptosporidium parvum lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Candida albicans similar to all three S. cerevisiae malate dehydrogenases (YKL085W, YDL078C, YOL126C) Get druggable targets OG5_127145 All targets in OG5_127145
Plasmodium berghei L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma japonicum L-lactate dehydrogenase B chain, putative Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania infantum cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania major mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate and lactate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Schistosoma mansoni malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate and lactate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus multilocularis cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Candida albicans similar to S. cerevisiae MDH1 (YKL085W) mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus granulosus lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus multilocularis lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Cryptosporidium hominis malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma cruzi glycosomal malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania braziliensis glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Plasmodium yoelii l-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma cruzi glycosomal malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania mexicana malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Plasmodium yoelii malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania mexicana glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Schistosoma japonicum ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma congolense glycosomal malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania braziliensis malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus granulosus L lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Toxoplasma gondii lactate dehydrogenase LDH2 Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania major malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Mycobacterium ulcerans malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Neospora caninum Malate dehydrogenase (EC 1.1.1.37), related Get druggable targets OG5_126911 All targets in OG5_126911
Brugia malayi lactate dehydrogenase. Get druggable targets OG5_126911 All targets in OG5_126911
Neospora caninum Malate dehydrogenase (NAD) (EC 1.1.1.37) (Precursor), related Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma mansoni malate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus multilocularis lactate dehydrogenase a Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma brucei mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Entamoeba histolytica malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trypanosoma brucei glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Loa Loa (eye worm) malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania mexicana cytosolic malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Plasmodium berghei malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma congolense cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus multilocularis malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania braziliensis cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus granulosus lactate dehydrogenase protein Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania infantum mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trypanosoma brucei gambiense glycosomal malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate and lactate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Babesia bovis lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma brucei gambiense cytosolic malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trypanosoma cruzi malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus granulosus cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Giardia lamblia Malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania major cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus granulosus L lactate dehydrogenase B chain Get druggable targets OG5_126911 All targets in OG5_126911
Candida albicans similar to S. cerevisiae MDH3 (YDL078C) peroxisomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania mexicana malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Schistosoma mansoni malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania infantum malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania donovani malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus granulosus malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Echinococcus granulosus malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Schistosoma mansoni L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Plasmodium vivax malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis lactate dehydrogenase protein Get druggable targets OG5_126911 All targets in OG5_126911
Echinococcus multilocularis cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania infantum malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania donovani malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trypanosoma brucei gambiense mitochondrial malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus granulosus cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Schistosoma japonicum L-lactate dehydrogenase A chain, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trypanosoma congolense mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Cryptosporidium parvum malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania braziliensis mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania mexicana malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Neospora caninum Malate dehydrogenase (EC 1.1.1.37), related Get druggable targets OG5_126911 All targets in OG5_126911
Plasmodium falciparum L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Candida albicans similar to S. cerevisiae MDH3 (YDL078C) peroxisomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Plasmodium knowlesi L-lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma japonicum ko:K00026 malate dehydrogenase [EC1.1.1.37B], putative Get druggable targets OG5_127410 All targets in OG5_127410
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania donovani cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Toxoplasma gondii malate dehydrogenase MDH Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania donovani mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126911 All targets in OG5_126911
Chlamydia trachomatis malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania donovani glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Brugia malayi Malate dehydrogenase, cytoplasmic Get druggable targets OG5_127410 All targets in OG5_127410
Schistosoma mansoni malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Theileria parva L-lactate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Candida albicans similar to S. cerevisiae MDH1 (YKL085W) mitochondrial malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative Get druggable targets OG5_127145 All targets in OG5_127145
Echinococcus multilocularis L lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Leishmania infantum glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Trypanosoma cruzi cytosolic malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Plasmodium knowlesi malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Trypanosoma brucei cytosolic malate dehydrogenase Get druggable targets OG5_127410 All targets in OG5_127410
Loa Loa (eye worm) malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Schistosoma japonicum ko:K00026 malate dehydrogenase [EC1.1.1.37B], putative Get druggable targets OG5_127145 All targets in OG5_127145
Trypanosoma cruzi cytosolic malate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania braziliensis malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Plasmodium vivax lactate dehydrogenase Get druggable targets OG5_126911 All targets in OG5_126911
Toxoplasma gondii lactate dehydrogenase LDH1 Get druggable targets OG5_126911 All targets in OG5_126911
Entamoeba histolytica malate dehydrogenase, putative Get druggable targets OG5_126911 All targets in OG5_126911
Schistosoma japonicum ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative Get druggable targets OG5_126911 All targets in OG5_126911
Trichomonas vaginalis malate and lactate dehydrogenase, putative Get druggable targets OG5_127410 All targets in OG5_127410
Leishmania major glycosomal malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145
Leishmania major malate dehydrogenase Get druggable targets OG5_127145 All targets in OG5_127145

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum L-lactate dehydrogenase malate dehydrogenase 2, NAD (mitochondrial) 296 aa 319 aa 24.1 %
Plasmodium falciparum lactate dehydrogenase, putative lactate dehydrogenase C 332 aa 307 aa 29.6 %
Schistosoma mansoni malate dehydrogenase malate dehydrogenase 1, NAD (soluble) 352 aa 343 aa 25.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) malate dehydrogenase 0.0094 0.8878 0.6591
Plasmodium vivax lactate dehydrogenase 0.0099 1 1
Schistosoma mansoni malate dehydrogenase 0.0094 0.8878 0.8763
Echinococcus granulosus lactate dehydrogenase a 0.0099 1 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0094 0.8878 0.6591
Trichomonas vaginalis malate dehydrogenase, putative 0.0065 0.0926 0.1043
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0094 0.8878 0.5
Leishmania major cytosolic malate dehydrogenase 0.0094 0.8878 0.8763
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0086 0.6708 0.7271
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0086 0.6708 0.7271
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0094 0.8878 1
Schistosoma mansoni malate dehydrogenase 0.0099 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0094 0.8878 1
Leishmania major mitochondrial malate dehydrogenase 0.0086 0.6708 0.6372
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0094 0.8878 0.6591
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0099 1 1
Plasmodium falciparum L-lactate dehydrogenase 0.0099 1 1
Leishmania major malate dehydrogenase 0.0086 0.6708 0.6372
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Echinococcus multilocularis lactate dehydrogenase a 0.0099 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0094 0.8878 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0094 0.8878 0.6591
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Mycobacterium ulcerans malate dehydrogenase 0.0094 0.8878 0.5
Toxoplasma gondii malate dehydrogenase MDH 0.0099 1 0.5
Schistosoma mansoni malate dehydrogenase 0.0086 0.6708 0.6372
Toxoplasma gondii lactate dehydrogenase LDH1 0.0099 1 0.5
Giardia lamblia Malate dehydrogenase 0.0094 0.8878 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Echinococcus granulosus lactate dehydrogenase a 0.0099 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0094 0.8878 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0086 0.6708 0.7271
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Echinococcus granulosus L lactate dehydrogenase B chain 0.0099 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Schistosoma mansoni L-lactate dehydrogenase 0.0099 1 1
Echinococcus multilocularis lactate dehydrogenase a 0.0099 1 1
Echinococcus multilocularis lactate dehydrogenase a 0.0099 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0094 0.8878 0.6591
Loa Loa (eye worm) hypothetical protein 0.0099 1 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0086 0.6708 0.7271
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0086 0.6708 0.7271
Trypanosoma brucei cytosolic malate dehydrogenase 0.0094 0.8878 1
Schistosoma mansoni malate dehydrogenase 0.0094 0.8878 0.8763
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0094 0.8878 0.6591
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Echinococcus multilocularis lactate dehydrogenase protein 0.0099 1 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0094 0.8878 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0099 1 0.5
Plasmodium vivax malate dehydrogenase, putative 0.0099 1 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0094 0.8878 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0094 0.8878 1
Leishmania major glycosomal malate dehydrogenase 0.0086 0.6708 0.6372
Trypanosoma cruzi malate dehydrogenase, putative 0.0086 0.6708 0.7271
Chlamydia trachomatis malate dehydrogenase 0.0094 0.8878 0.5
Toxoplasma gondii lactate dehydrogenase LDH2 0.0099 1 0.5
Echinococcus granulosus lactate dehydrogenase protein 0.0099 1 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0094 0.8878 1
Plasmodium falciparum malate dehydrogenase 0.0099 1 1
Leishmania major malate dehydrogenase, putative 0.0099 1 1
Entamoeba histolytica malate dehydrogenase, putative 0.0099 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1800 nM Inhibition of human LDH-A by biochemical assay ChEMBL. 25466195
IC50 (binding) >= 10 uM Inhibition of malate dehydrogenase 1 (unknown origin) ChEMBL. 25466195
IC50 (binding) >= 10 uM Inhibition of malate dehydrogenase 2 (unknown origin) ChEMBL. 25466195

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.