Detailed information for compound 173199

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 609.464 | Formula: C27H25N5O8P2
  • H donors: 6 H acceptors: 9 LogP: 0.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 3
  • SMILES: COc1cccc(c1)c1cn(c2c1c(N)ncn2)c1cccc(c1)C(=O)Nc1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O
  • InChi: 1S/C27H25N5O8P2/c1-40-21-7-3-4-17(13-21)22-14-32(25-23(22)24(28)29-15-30-25)20-6-2-5-18(12-20)26(33)31-19-10-8-16(9-11-19)27(41(34,35)36)42(37,38)39/h2-15,27H,1H3,(H,31,33)(H2,28,29,30)(H2,34,35,36)(H2,37,38,39)
  • InChiKey: CEUUJOBSKLTCBL-UHFFFAOYSA-N  


Substructure search Similarity search

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 SRC proto-oncogene, non-receptor tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi protein-tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Srms Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
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
Loa Loa (eye worm) hypothetical protein 0.0296 0.3477 0.3438
Giardia lamblia Hypothetical protein 0.0015 0.0059 0.5
Giardia lamblia Hypothetical protein 0.0015 0.0059 0.5
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Schistosoma mansoni zinc finger protein 0.0015 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0833 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.0428 0.0428
Onchocerca volvulus 0.0296 0.3477 0.3438
Loa Loa (eye worm) hypothetical protein 0.0296 0.3477 0.3438
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0296 0.3477 0.3477
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0296 0.3477 0.3477
Loa Loa (eye worm) SRC-1 0.0045 0.0428 0.0372
Schistosoma mansoni ring finger protein 151 0.0015 0.0059 0.0059
Trypanosoma brucei hypothetical protein, conserved 0.0296 0.3477 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0428 0.0428
Giardia lamblia Zinc finger domain 0.0015 0.0059 0.5
Onchocerca volvulus 0.0296 0.3477 0.3438
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0296 0.3477 1
Brugia malayi hypothetical protein 0.0015 0.0059 0.0059
Echinococcus multilocularis ring finger protein 170 0.0015 0.0059 0.0059
Schistosoma mansoni tyrosine kinase 0.0045 0.0428 0.0428
Chlamydia trachomatis SWIB complex protein 0.0833 1 0.5
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0296 0.3477 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.0428 0.0428
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0359 0.0359
Loa Loa (eye worm) brahma associated protein 0.0833 1 1
Giardia lamblia Hypothetical protein 0.0015 0.0059 0.5
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0296 0.3477 0.3477
Giardia lamblia Ser/Thr protein kinase 0.0015 0.0059 0.5
Echinococcus multilocularis 0.0015 0.0059 0.0059
Brugia malayi Zinc finger protein 183 homolog 0.0015 0.0059 0.0059
Echinococcus granulosus SWI:SNF matrix associated 0.0833 1 1
Schistosoma mansoni mind bomb 0.0015 0.0059 0.0059
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0833 1 0.5
Giardia lamblia E3 ubiquitin ligase for Rad6p required for the ubiquitination of histone H2B 0.0015 0.0059 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0833 1 1
Brugia malayi Neuralized family protein 0.0015 0.0059 0.0059
Plasmodium vivax hypothetical protein, conserved 0.0833 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0833 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0428 0.0428
Echinococcus granulosus zinc finger protein Ran binding 0.0296 0.3477 0.3477
Echinococcus granulosus cell growth regulator with ring finger domain 0.0015 0.0059 0.0059
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.0319 0.0319
Echinococcus multilocularis SWI:SNF matrix associated 0.0833 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0428 0.0428
Brugia malayi hypothetical protein 0.0015 0.0059 0.0059
Trichomonas vaginalis conserved hypothetical protein 0.0833 1 1
Schistosoma mansoni hypothetical protein 0.0833 1 1
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0296 0.3477 1
Brugia malayi B-box zinc finger family protein 0.0015 0.0059 0.0059
Echinococcus granulosus E3 ubiquitin protein ligase LRSAM1 0.0015 0.0059 0.0059
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0296 0.3477 0.3477
Echinococcus multilocularis E3 ubiquitin protein ligase LRSAM1 0.0015 0.0059 0.0059
Echinococcus granulosus E3 ubiquitin protein ligase Bre1 0.0015 0.0059 0.0059
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.0374 0.0374
Giardia lamblia Hypothetical protein 0.0015 0.0059 0.5
Loa Loa (eye worm) TK protein kinase 0.0041 0.0374 0.0318
Echinococcus multilocularis E3 ubiquitin protein ligase mib1 0.0015 0.0059 0.0059
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0833 1 1
Schistosoma mansoni fusion 0.0296 0.3477 0.3477
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Onchocerca volvulus 0.0833 1 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.0428 0.0428
Brugia malayi hypothetical protein 0.0015 0.0059 0.0059
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.0428 0.0428
Echinococcus granulosus Zinc finger RanBP2 type 0.0296 0.3477 0.3477
Leishmania major hypothetical protein, conserved 0.0296 0.3477 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0296 0.3477 0.3438
Giardia lamblia Hypothetical protein 0.0015 0.0059 0.5
Giardia lamblia Hypothetical protein 0.0015 0.0059 0.5
Giardia lamblia Hypothetical protein 0.0015 0.0059 0.5
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0296 0.3477 0.3438
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0833 1 1
Giardia lamblia Zinc finger domain 0.0015 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0296 0.3477 0.3438
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.0428 0.0428
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0296 0.3477 1
Echinococcus multilocularis RING finger protein 185 0.0015 0.0059 0.0059
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Schistosoma mansoni hypothetical protein 0.0296 0.3477 0.3477
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0296 0.3477 0.3477
Echinococcus granulosus E3 ubiquitin protein ligase RNF146 0.0015 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0015 0.0059 0.0059
Leishmania major hypothetical protein, conserved 0.0296 0.3477 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0833 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0296 0.3477 0.3477
Entamoeba histolytica protein kinase, putative 0.0036 0.0319 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0833 1 1
Schistosoma mansoni rnf5 0.0015 0.0059 0.0059
Toxoplasma gondii ran binding protein 0.0296 0.3477 0.3438
Brugia malayi RING zinc finger protein 0.0015 0.0059 0.0059
Schistosoma mansoni peter pan-related 0.0015 0.0059 0.0059
Trypanosoma cruzi WLM domain containing protein, putative 0.0296 0.3477 1
Brugia malayi hypothetical protein 0.0015 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0296 0.3477 0.3438
Trypanosoma brucei hypothetical protein, conserved 0.0296 0.3477 1
Giardia lamblia Kinase 0.0015 0.0059 0.5
Brugia malayi hypothetical protein 0.0015 0.0059 0.0059
Echinococcus granulosus E3 ubiquitin protein ligase MYLIP 0.0015 0.0059 0.0059
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0374 0.0374
Echinococcus granulosus tyrosine kinase 0.0041 0.0374 0.0374
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.0428 0.0428
Echinococcus multilocularis ring and YY1 binding protein 0.0296 0.3477 0.3477
Echinococcus multilocularis SWI:SNF matrix associated 0.0833 1 1
Brugia malayi SRC-1 0.0045 0.0428 0.0428
Brugia malayi SWIB/MDM2 domain containing protein 0.0833 1 1
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Schistosoma mansoni peter pan-related 0.0015 0.0059 0.0059
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0296 0.3477 0.3438
Giardia lamblia Kinase, NEK 0.0015 0.0059 0.5
Leishmania major hypothetical protein, conserved 0.0296 0.3477 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0359 0.0359
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Echinococcus granulosus ring and YY1 binding protein 0.0296 0.3477 0.3477
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0296 0.3477 1
Echinococcus granulosus E3 ubiquitin protein ligase mib1 0.0015 0.0059 0.0059
Brugia malayi hypothetical protein 0.0015 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0833 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.0428 0.0428
Leishmania major hypothetical protein, conserved 0.0296 0.3477 1
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0428 0.0428
Giardia lamblia Kinase, NEK 0.0015 0.0059 0.5
Giardia lamblia Ribonuclease 0.0015 0.0059 0.5
Echinococcus granulosus ring finger protein 170 0.0015 0.0059 0.0059
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.0428 0.0428
Echinococcus granulosus RING finger protein 185 0.0015 0.0059 0.0059
Onchocerca volvulus 0.0296 0.3477 0.3438
Echinococcus multilocularis RING finger and transmembrane domain containing protein 0.0015 0.0059 0.0059
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.0428 0.0428
Trypanosoma cruzi hypothetical protein, conserved 0.0296 0.3477 1
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0296 0.3477 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.0428 0.0428
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.0319 0.0319
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0296 0.3477 0.3477
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Echinococcus multilocularis E3 ubiquitin protein ligase Bre1 0.0015 0.0059 0.0059
Leishmania major hypothetical protein, conserved 0.0296 0.3477 1
Brugia malayi YY1-associated factor 2 0.0296 0.3477 0.3477
Loa Loa (eye worm) hypothetical protein 0.0296 0.3477 0.3438
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Echinococcus granulosus RING finger and transmembrane domain containing protein 0.0015 0.0059 0.0059
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0296 0.3477 1
Brugia malayi RING finger protein 20 0.0015 0.0059 0.0059
Schistosoma mansoni zinc finger protein 0.0296 0.3477 0.3477
Brugia malayi Zinc finger, C2H2 type family protein 0.0015 0.0059 0.0059
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0833 1 1
Schistosoma mansoni inhibitor of apoptosis 1 diap1 0.0015 0.0059 0.0059
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Schistosoma mansoni brg-1 associated factor 0.0833 1 1
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.0374 0.0374
Schistosoma mansoni tyrosine kinase 0.0045 0.0428 0.0428
Brugia malayi protein-tyrosine kinase 0.0041 0.0374 0.0374
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0428 0.0428
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0428 0.0428
Schistosoma mansoni hypothetical protein 0.0015 0.0059 0.0059
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0296 0.3477 0.3477
Onchocerca volvulus 0.0296 0.3477 0.3438
Brugia malayi brahma associated protein 60 kDa 0.0833 1 1
Loa Loa (eye worm) TK protein kinase 0.0036 0.0319 0.0262
Schistosoma mansoni RNA binding protein 0.0296 0.3477 0.3477
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0833 1 1
Echinococcus granulosus ring finger protein 113a 0.0015 0.0059 0.0059
Echinococcus multilocularis zinc finger protein Ran binding 0.0296 0.3477 0.3477
Trypanosoma cruzi hypothetical protein, conserved 0.0296 0.3477 1
Brugia malayi Hypothetical RING finger protein C16C10.7 in chromosome III 0.0015 0.0059 0.0059
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0833 1 1
Echinococcus multilocularis E3 ubiquitin protein ligase MYLIP 0.0015 0.0059 0.0059
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.0374 0.0374
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0059 0.0059
Trypanosoma cruzi hypothetical protein, conserved 0.0296 0.3477 1
Giardia lamblia Protein 21.1 0.0015 0.0059 0.5
Echinococcus multilocularis ring finger protein 113a 0.0015 0.0059 0.0059
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.0374 0.0374
Schistosoma mansoni serine/threonine protein kinase 0.0015 0.0059 0.0059
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.0428 0.0428
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0296 0.3477 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 19 uM In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay. ChEMBL. 12941334
IC50 (binding) = 19 uM In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay. ChEMBL. 12941334

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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