Detailed information for compound 29792

Basic information

Technical information
  • TDR Targets ID: 29792
  • Name: 6-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaph thalen-2-ol
  • MW: 239.312 | Formula: C16H17NO
  • H donors: 1 H acceptors: 2 LogP: 3.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)CCC(C2)Cc1ccncc1
  • InChi: 1S/C16H17NO/c18-16-4-3-14-10-13(1-2-15(14)11-16)9-12-5-7-17-8-6-12/h3-8,11,13,18H,1-2,9-10H2
  • InChiKey: HOYYGGIWRKOTDQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-pyridylmethyl)tetralin-6-ol
  • 2-(4-pyridylmethyl)-6-tetralinol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 19, subfamily A, polypeptide 1 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
Trypanosoma cruzi cytochrome P450, putative cytochrome P450, family 19, subfamily A, polypeptide 1 503 aa 425 aa 18.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi gonadotropin-releasing hormone receptor 2 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis neuropeptide receptor 0.1357 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.1357 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1357 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.1357 1 1
Echinococcus multilocularis fmrfamide receptor 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.011 0.0063 0.0063
Brugia malayi sulfakinin receptor protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.011 0.0063 0.0063
Echinococcus multilocularis g-protein coupled receptor 0.1357 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.1357 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1357 1 1
Schistosoma mansoni neuropeptide receptor 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.1357 1 1
Brugia malayi G protein-coupled receptor 0.1357 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1357 1 1
Echinococcus granulosus neuropeptide receptor 0.1357 1 1
Schistosoma mansoni myosin xvIII 0.1357 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.1357 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.1357 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.1357 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.011 0.0063 0.0063
Brugia malayi G protein-coupled receptor F59B2.13 0.1357 1 1
Echinococcus granulosus orexin receptor type 2 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Brugia malayi putative neuropeptide receptor 0.1357 1 1
Schistosoma mansoni opsin-like receptor 0.1357 1 1
Brugia malayi Dopamine receptor protein 2 0.1357 1 1
Schistosoma mansoni biogenic amine receptor 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Echinococcus multilocularis somatostatin receptor 0.1357 1 1
Brugia malayi G-protein coupled receptor 0.1357 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Echinococcus granulosus G protein coupled receptor 139 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Echinococcus multilocularis fmrfamide receptor 0.1357 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Brugia malayi Serotonin receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis neuropeptide receptor 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Echinococcus granulosus allatostatin A receptor 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Schistosoma mansoni neuropeptide receptor 0.1357 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.1357 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Schistosoma mansoni hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Echinococcus granulosus sex peptide receptor 0.1357 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.1357 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1357 1 1
Echinococcus granulosus g protein coupled receptor 0.1357 1 1
Schistosoma mansoni amine GPCR 0.1357 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Schistosoma mansoni hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.1357 1 1
Brugia malayi Dopamine receptor 0.1357 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.1357 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.1357 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.1357 1 1
Toxoplasma gondii hypothetical protein 0.0102 0 0.5
Brugia malayi GnHR receptor homolog 0.1357 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.1357 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis sex peptide receptor 0.1357 1 1
Echinococcus granulosus g protein coupled receptor 0.1357 1 1
Brugia malayi Melatonin receptor type 1A 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.1357 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.1357 1 1
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0891 0.6288 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.011 0.0063 0.0063
Schistosoma mansoni neuropeptide f receptor 76f 0.1357 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.1357 1 1
Schistosoma mansoni amine GPCR 0.1357 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1357 1 1
Echinococcus multilocularis neuropeptide s receptor 0.1357 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.1357 1 1
Brugia malayi neuropeptide F receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis serotonin receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus neuropeptides capa receptor 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Schistosoma mansoni neuropeptide receptor 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.1357 1 1
Schistosoma mansoni biogenic amine receptor 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.1357 1 1
Schistosoma mansoni amine GPCR 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Schistosoma mansoni neuropeptide receptor 0.1357 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.1357 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Echinococcus multilocularis neuropeptide Y receptor 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Echinococcus multilocularis g protein coupled receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus neuropeptide receptor A26 0.1357 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.1357 1 1
Schistosoma mansoni biogenic amine receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.0891 0.6288 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1357 1 1
Brugia malayi larval opioid receptor 0.1357 1 1
Echinococcus granulosus neuropeptide Y receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni opsin-like receptor 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.1357 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1357 1 1
Echinococcus granulosus serotonin receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni histamine h1 receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni amine GPCR 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Brugia malayi Serotonin receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni amine GPCR 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.1357 1 1
Echinococcus granulosus g-protein coupled receptor 0.1357 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1357 1 1
Echinococcus granulosus fmrfamide receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) steroid hormone receptor 0.011 0.0063 0.0063
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.1357 1 1
Brugia malayi RE15519p 0.1357 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.1357 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.1357 1 1
Echinococcus multilocularis orexin receptor type 2 0.1357 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.1357 1 1
Echinococcus granulosus neuropeptides capa receptor 0.1357 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.1357 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Echinococcus multilocularis g protein coupled receptor 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Schistosoma mansoni hypothetical protein 0.1357 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.1357 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1357 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1357 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Schistosoma mansoni adenoreceptor 0.1357 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.1357 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.1357 1 1
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0891 0.6288 0.5
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis serotonin receptor 0.1357 1 1
Echinococcus granulosus g protein coupled receptor 0.1357 1 1
Loa Loa (eye worm) TYRA-2 protein 0.1357 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.1357 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1357 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.1357 1 1
Echinococcus multilocularis allatostatin A receptor 0.1357 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.1357 1 1
Echinococcus granulosus neuropeptide receptor 0.1357 1 1
Brugia malayi neuropeptide F receptor 0.1357 1 1
Brugia malayi Dopamine receptor protein 1 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Brugia malayi AKH receptor 0.1357 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1357 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1357 1 1
Echinococcus granulosus somatostatin receptor 0.1357 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.1357 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis g protein coupled receptor 0.1357 1 1
Brugia malayi ORL1-like opioid receptor 0.1357 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni opsin-like receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Brugia malayi G-protein coupled receptor 0.1357 1 1
Echinococcus granulosus neuropeptide Y receptor 0.1357 1 1
Echinococcus granulosus hypothetical protein 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Brugia malayi follicle stimulating hormone receptor 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.1357 1 1
Echinococcus granulosus neuropeptide s receptor 0.1357 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.75 uM Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone ChEMBL. 8176705
IC50 (binding) = 0.75 uM Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone ChEMBL. 8176705
Inhibition (binding) = 10 % Evaluated for percent inhibition of Bovine Adrenal Desmolase in vitro using bovine adrenal mitochondria and cholesterol ChEMBL. 8176705
Inhibition (binding) = 10 % Evaluated for percent inhibition of Bovine Adrenal Desmolase in vitro using bovine adrenal mitochondria and cholesterol ChEMBL. 8176705
Relative potency (binding) = 49 Potency relative to AG(IC50 37 uM) ChEMBL. 8176705
Relative potency (binding) = 49 Potency relative to AG(IC50 37 uM) ChEMBL. 8176705

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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