Detailed information for compound 29791

Basic information

Technical information
  • TDR Targets ID: 29791
  • Name: 7-(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)CC(CC2)Cc1ccncc1
  • InChi: 1S/C16H17NO/c18-16-4-3-14-2-1-13(10-15(14)11-16)9-12-5-7-17-8-6-12/h3-8,11,13,18H,1-2,9-10H2
  • InChiKey: DELFRHFKJCAOCF-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(4-pyridylmethyl)tetralin-6-ol
  • 3-(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
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.1357 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.1357 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni biogenic amine receptor 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.1357 1 1
Schistosoma mansoni biogenic amine receptor 0.1357 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1357 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.1357 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Brugia malayi RE15519p 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus sex peptide receptor 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Echinococcus granulosus g protein coupled receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni biogenic amine receptor 0.1357 1 1
Schistosoma mansoni neuropeptide receptor 0.1357 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.1357 1 1
Brugia malayi hypothetical protein 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
Echinococcus granulosus neuropeptides capa receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
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 0.1357 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.1357 1 1
Echinococcus granulosus neuropeptide s receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis G protein coupled receptor 139 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 7TM GPCR rhodopsin 0.1357 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.1357 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.1357 1 1
Schistosoma mansoni histamine h1 receptor 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni neuropeptide receptor 0.1357 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.1357 1 1
Schistosoma mansoni amine GPCR 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Echinococcus multilocularis serotonin receptor 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Schistosoma mansoni hypothetical protein 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 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 granulosus biogenic amine 5HT receptor 0.1357 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1357 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.1357 1 1
Echinococcus multilocularis fmrfamide receptor 0.1357 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.1357 1 1
Onchocerca volvulus 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 granulosus neuropeptide FF receptor 2 0.1357 1 1
Echinococcus multilocularis g-protein coupled receptor 0.1357 1 1
Schistosoma mansoni opsin-like receptor 0.1357 1 1
Loa Loa (eye worm) TYRA-2 protein 0.1357 1 1
Echinococcus granulosus neuropeptide receptor A26 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Brugia malayi G protein-coupled receptor 0.1357 1 1
Echinococcus granulosus serotonin receptor 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.1357 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Echinococcus granulosus neuropeptides capa receptor 0.1357 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Echinococcus granulosus neuropeptide receptor 0.1357 1 1
Echinococcus multilocularis alpha 1A adrenergic 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
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Loa Loa (eye worm) steroid hormone receptor 0.011 0.0063 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.011 0.0063 0.0063
Echinococcus granulosus g protein coupled receptor 0.1357 1 1
Echinococcus granulosus hypothetical protein 0.1357 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.1357 1 1
Echinococcus multilocularis sex peptide receptor 0.1357 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1357 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Brugia malayi Dopamine receptor 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1357 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.1357 1 1
Schistosoma mansoni neuropeptide receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni amine GPCR 0.1357 1 1
Echinococcus multilocularis neuropeptide s receptor 0.1357 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 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
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus multilocularis g protein coupled receptor 0.1357 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.1357 1 1
Echinococcus granulosus neuropeptide receptor 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Brugia malayi G-protein coupled receptor 0.1357 1 1
Echinococcus multilocularis neuropeptide receptor 0.1357 1 1
Brugia malayi putative neuropeptide receptor 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni hypothetical protein 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.1357 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.1357 1 1
Brugia malayi ORL1-like opioid receptor 0.1357 1 1
Brugia malayi Dopamine receptor protein 1 0.1357 1 1
Echinococcus multilocularis orexin receptor type 2 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus allatostatin A receptor 0.1357 1 1
Brugia malayi Dopamine receptor protein 2 0.1357 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.1357 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.1357 1 1
Brugia malayi GnHR receptor homolog 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Brugia malayi larval opioid receptor 0.1357 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 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
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1357 1 1
Echinococcus granulosus neuropeptide Y receptor 0.1357 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1357 1 1
Schistosoma mansoni myosin xvIII 0.1357 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.011 0.0063 0.0063
Echinococcus multilocularis neuropeptides capa receptor 0.1357 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.1357 1 1
Echinococcus granulosus orexin receptor type 2 0.1357 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.1357 1 1
Brugia malayi neuropeptide F receptor 0.1357 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.1357 1 1
Echinococcus multilocularis 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
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1357 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1357 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1357 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.1357 1 1
Echinococcus multilocularis fmrfamide receptor 0.1357 1 1
Echinococcus granulosus g-protein coupled receptor 0.1357 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.1357 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.1357 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1357 1 1
Brugia malayi G-protein coupled receptor 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
Brugia malayi AKH receptor 0.1357 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.011 0.0063 0.0063
Echinococcus granulosus thyrotropin releasing hormone receptor 0.1357 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.1357 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.1357 1 1
Brugia malayi neuropeptide F receptor 0.1357 1 1
Echinococcus multilocularis allatostatin A receptor 0.1357 1 1
Schistosoma mansoni hypothetical protein 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Echinococcus granulosus neuropeptide Y receptor 0.1357 1 1
Echinococcus multilocularis g protein coupled receptor 0.1357 1 1
Echinococcus granulosus g protein coupled receptor 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) hypothetical protein 0.011 0.0063 0.0063
Loa Loa (eye worm) G-protein coupled receptor 0.1357 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.1357 1 1
Brugia malayi Melatonin receptor type 1A 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
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1357 1 1
Schistosoma mansoni hypothetical protein 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Schistosoma mansoni opsin-like receptor 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.1357 1 1
Brugia malayi Serotonin 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) nuclear hormone receptor family member nhr-40 0.011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.1357 1 1
Toxoplasma gondii hypothetical protein 0.0102 0 0.5
Brugia malayi follicle stimulating hormone receptor 0.1357 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1357 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.1357 1 1
Echinococcus multilocularis neuropeptide receptor 0.1357 1 1
Brugia malayi sulfakinin receptor protein 0.1357 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1357 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.1357 1 1
Schistosoma mansoni adenoreceptor 0.1357 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.1357 1 1
Brugia malayi hypothetical protein 0.1357 1 1
Brugia malayi Serotonin receptor 0.1357 1 1
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0891 0.6288 0.5
Schistosoma mansoni amine GPCR 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
Echinococcus granulosus rhodopsin orphan GPCR 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Schistosoma mansoni neuropeptide receptor 0.1357 1 1
Echinococcus multilocularis somatostatin receptor 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Onchocerca volvulus 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1
Echinococcus granulosus somatostatin receptor 0.1357 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1357 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.1357 1 1
Schistosoma mansoni opsin-like receptor 0.1357 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 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
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.1357 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.011 0.0063 0.0063
Echinococcus granulosus G protein coupled receptor 139 0.1357 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0063 0.0063
Onchocerca volvulus 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 rhodopsin orphan GPCR 0.1357 1 1
Loa Loa (eye worm) hypothetical protein 0.1357 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.3 uM Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone ChEMBL. 8176705
IC50 (binding) = 1.3 uM Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone ChEMBL. 8176705
Inhibition (binding) = 12 % Evaluated for percent inhibition of Bovine Adrenal Desmolase in vitro using bovine adrenal mitochondria and cholesterol ChEMBL. 8176705
Inhibition (binding) = 12 % Evaluated for percent inhibition of Bovine Adrenal Desmolase in vitro using bovine adrenal mitochondria and cholesterol ChEMBL. 8176705
Relative potency (binding) = 29 Potency relative to AG(IC50 37 uM) ChEMBL. 8176705
Relative potency (binding) = 29 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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