Details of the Biological Target of DIG (DBT)

General Information of DBT (ID: ET0AN1J)
Name
Estrogen receptor alpha (ESR1)
Synonyms    Click to Show/Hide the Synonyms of This DBT
Estradiol receptor; NR3A1; ER; ER-alpha; ESR; Nuclear receptor subfamily 3 group A member 1
Family Nuclear receptor (NR)  >>  Nuclear hormone receptor (NHR)
Organism
Homo sapiens (Human)
Gene Name ESR1 Gene ID
2099
UniProt ID ESR1_HUMAN (click to find more protein-related data of this DBT)
TTD ID T89534 (click to find more therapeutic target data of this DBT)
   Click to Show/Hide the Molecular/Function Data (Sequence/Function) of This Target
Sequence
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAY
EFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPF
LQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAK
ETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQAC
RLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKR
SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINW
AKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLD
KITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLL
LEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
Function
Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues. Ligand-dependent nuclear transactivation involves either direct homodimer binding to a palindromic estrogen response element (ERE) sequence or association with other DNA-binding transcription factors, such as AP-1/c-Jun, c-Fos, ATF-2, Sp1 and Sp3, to mediate ERE-independent signaling.
Full List of Drug Inactive Ingredients (DIGs) Regulating This DBT
          DIG Name: Allura red AC dye Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Colorant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 15 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Butylparaben Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative
             Experiment (1) for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 1420 nM (tested by experiment) [2]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
             Experiment (2) for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 3.5 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Cetylpyridinium chloride Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative; Penetration agent; Solubilizing agent; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 18 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: D&C red no. 28 Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Colorant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 18 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: FD&C blue no. 2 Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Colorant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 > 10 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Pigment orange 2 Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Colorant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 709 nM (estimated based on the structural similarity with CHEMBL195788 ) [3]
                   Structural Similarity Tanimoto coefficient = 0.887417219
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Propyl 4-hydroxybenzoate Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 11 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Propylparaben sodium Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity EC50 = 38200 nM (estimated based on the structural similarity with CHEMBL15841 ) [4]
                   Structural Similarity Tanimoto coefficient = 0.946428571
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Quinoline yellow WS Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Colorant
             Experiment (1) for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity EC50 = 13156.33 nM (estimated based on the structural similarity with CHEMBL1417293 ) [5]
                   Structural Similarity Tanimoto coefficient = 0.828729282
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
             Experiment (2) for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 18 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Stearic acid Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Emulsifying agent; Solubilizing agent; Viscosity-controlling agent; lubricant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 16 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Benzethonium chloride Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 11 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Ethylparaben Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity EC50 = 38200 nM (tested by experiment) [4]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Octyl gallate Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antioxidant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 8740 nM (tested by experiment) [2]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
          DIG Name: Polysorbate 80 Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Dispersing agent; Emollient; Emulsifying agent; Plasticizing agent; Solubilizing agent; Surfactant; Suspending agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 > 10 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID ESR1_HUMAN
References
1 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
2 Disconnecting the Estrogen Receptor Binding Properties and Antimicrobial Properties of Parabens through 3,5-Substitution. ACS Med Chem Lett. 2017 Dec 15; 9(1):51-55.
3 ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity. J Med Chem. 2005 Jun 16; 48(12):3953-79.
4 Discovery of natural estrogen receptor modulators with structure-based virtual screening. Bioorg Med Chem Lett. 2013 Jun 1; 23(11):3329-33.
5 PubChem BioAssay data set.

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