Detailed information for compound 340106

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 519.489 | Formula: C26H26N5O5P
  • H donors: 2 H acceptors: 6 LogP: 3.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC(c1nc2c(=O)n(Cc3cccc(c3)OP(=O)(O)O)nc(c2c2n1nc(c2)c1ccccc1)C)C
  • InChi: 1S/C26H26N5O5P/c1-4-16(2)25-27-24-23(22-14-21(29-31(22)25)19-10-6-5-7-11-19)17(3)28-30(26(24)32)15-18-9-8-12-20(13-18)36-37(33,34)35/h5-14,16H,4,15H2,1-3H3,(H2,33,34,35)
  • InChiKey: CJAFFWBKYUSVOB-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 phosphodiesterase 5A, cGMP-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania donovani cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum expressed protein Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Toxoplasma gondii hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0107 0.1777 0.1777
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0369 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0369 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0369 1 1
Loa Loa (eye worm) oxidoreductase 0.0369 1 1
Onchocerca volvulus 0.0369 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis aldo-keto reductase, putative 0.0107 0.1777 0.1777
Schistosoma mansoni potassium channel beta 0.0107 0.1777 0.1124
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0369 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0107 0.1777 0.5
Echinococcus granulosus voltage gated potassium channel subunit 0.0107 0.1777 0.1124
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis aldo/keto reductase, putative 0.0369 1 1
Toxoplasma gondii aldose reductase, putative 0.0369 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0107 0.1777 0.5
Plasmodium falciparum aldehyde reductase, putative 0.0107 0.1777 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0369 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Onchocerca volvulus 0.0369 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0369 1 1
Onchocerca volvulus 0.0369 1 1
Onchocerca volvulus 0.0369 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0452 0.0452
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Echinococcus multilocularis aldo keto reductase 0.0369 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0107 0.1777 0.1124
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0369 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0369 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0369 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0369 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis aldo-keto reductase, putative 0.0107 0.1777 0.1777
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0737 0.0737
Echinococcus granulosus aldo keto reductase 0.0369 1 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0107 0.1777 0.1777
Trypanosoma brucei prostaglandin f synthase 0.0369 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0737 0.0737
Echinococcus granulosus aldehyde reductase 0.0262 0.6647 0.6381
Trichomonas vaginalis aldo/keto reductase, putative 0.0369 1 1
Entamoeba histolytica aldose reductase, putative 0.0369 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0369 1 1
Onchocerca volvulus 0.0369 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Echinococcus granulosus hypothetical protein 0.0369 1 1
Trypanosoma cruzi aldo-keto reductase 0.0369 1 1
Entamoeba histolytica aldose reductase, putative 0.0369 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0369 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0737 0.0737
Giardia lamblia Aldose reductase 0.0369 1 0.5
Plasmodium vivax aldehyde reductase, putative 0.0107 0.1777 0.5
Echinococcus multilocularis aldehyde reductase 0.0262 0.6647 0.6381
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0369 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0262 0.6647 0.5922
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0107 0.1777 0.1124
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0737 0.0737
Leishmania major aldo-keto reductase-like protein 0.0369 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0107 0.1777 0.1124
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0369 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0369 1 1
Loa Loa (eye worm) oxidoreductase 0.0369 1 1
Leishmania major prostaglandin f synthase, putative 0.0369 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0107 0.1777 0.1388
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0107 0.1777 0.1124
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0107 0.1777 0.1777
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0737 0.0737
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0369 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0737 0.0737
Echinococcus multilocularis aldo keto reductase 0.0369 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Entamoeba histolytica aldose reductase, putative 0.0369 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0737 0.0737
Echinococcus granulosus aldo keto reductase 0.0369 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0369 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0369 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0107 0.1777 0.1388
Schistosoma mansoni aldo-keto reductase 0.0369 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0369 1 1
Loa Loa (eye worm) oxidoreductase 0.0369 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Schistosoma mansoni pol-related 0.0369 1 1
Schistosoma mansoni aldo-keto reductase 0.0369 1 1
Loa Loa (eye worm) oxidoreductase 0.0369 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0074 0.0737 0.0737
Echinococcus granulosus aldo keto reductase 0.0369 1 1
Toxoplasma gondii aldo-keto reductase 0.0107 0.1777 0.1388
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0369 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0452 0.0452
Mycobacterium ulcerans oxidoreductase 0.0369 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0107 0.1777 0.1777
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0369 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0369 1 1
Echinococcus multilocularis aldo keto reductase 0.0369 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0737 0.0737
Loa Loa (eye worm) oxidoreductase 0.0369 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0737 0.0737
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0369 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0737 0.0737
Giardia lamblia Aldose reductase 0.0369 1 0.5
Echinococcus multilocularis aldo keto reductase 0.0369 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0452 0.0452
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0369 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0737 0.0737
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0074 0.0737 0.0737
Onchocerca volvulus 0.0369 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.059 uM Inhibition of human Phosphodiesterase 5 (n=2-3) ChEMBL. 15837329
IC50 (binding) = 0.059 uM Inhibition of human Phosphodiesterase 5 (n=2-3) ChEMBL. 15837329
Inhibition (binding) = 66.9 % Percentage inhibition of bovine Phosphodiesterase 6 at 2 uM (n=2-3) ChEMBL. 15837329
Inhibition (binding) = 66.9 % Percentage inhibition of bovine Phosphodiesterase 6 at 2 uM (n=2-3) ChEMBL. 15837329

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.

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