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