Details of the Target

General Information of Target

Target ID LDTP05436
Target Name Aldo-keto reductase family 1 member C1 (AKR1C1)
Gene Name AKR1C1
Gene ID 1645
Synonyms
DDH; DDH1; Aldo-keto reductase family 1 member C1; EC 1.1.1.-; EC 1.1.1.112; EC 1.1.1.209; EC 1.1.1.210; EC 1.1.1.357; EC 1.1.1.51; EC 1.1.1.53; EC 1.1.1.62; EC 1.3.1.20; 20-alpha-hydroxysteroid dehydrogenase; 20-alpha-HSD; EC 1.1.1.149; Chlordecone reductase homolog HAKRC; Dihydrodiol dehydrogenase 1; DD1; High-affinity hepatic bile acid-binding protein; HBAB
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
Target Bioclass
Enzyme
Family
Aldo/keto reductase family
Subcellular location
Cytoplasm, cytosol
Function
Cytosolic aldo-keto reductase that catalyzes the NADH and NADPH-dependent reduction of ketosteroids to hydroxysteroids. Most probably acts as a reductase in vivo since the oxidase activity measured in vitro is inhibited by physiological concentrations of NADPH. Displays a broad positional specificity acting on positions 3, 17 and 20 of steroids and regulates the metabolism of hormones like estrogens and androgens. May also reduce conjugated steroids such as 5alpha-dihydrotestosterone sulfate. Displays affinity for bile acids.
Uniprot ID
Q04828
Ensemble ID
ENST00000380872.9
HGNC ID
HGNC:384
ChEMBL ID
CHEMBL5905

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 16 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
YN-1
 Probe Info  		100.00  LDD0444  [1]
YN-4
 Probe Info  		100.00  LDD0445  [1]
STPyne
 Probe Info  		K31(0.52); K33(5.01); K39(8.41)  LDD0277  [2]
IPM
 Probe Info  		C87(0.00); C145(0.00)  LDD0241  [3]
BTD
 Probe Info  		C193(0.79)  LDD2123  [4]
NAIA_5
 Probe Info  		C7(0.76)  LDD2227  [5]
Acrolein
 Probe Info  		C87(0.00); H90(0.00)  LDD0221  [6]
DBIA
 Probe Info  		C188(0.90); C193(0.90)  LDD0078  [7]
Lodoacetamide azide
 Probe Info  		N.A.  LDD0037  [8]
WYneN
 Probe Info  		N.A.  LDD0021  [9]
IA-alkyne
 Probe Info  		N.A.  LDD0149  [10]
Methacrolein
 Probe Info  		N.A.  LDD0218  [6]
W1
 Probe Info  		N.A.  LDD0236  [3]
HHS-465
 Probe Info  		N.A.  LDD2240  [11]
HHS-475
 Probe Info  		Y55(1.73)  LDD2238  [12]
HHS-482
 Probe Info  		Y55(1.14)  LDD2239  [12]
PAL-AfBPP Probe
Click To Hide/Show 5 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe11
 Probe Info  		7.01  LDD0472  [13]
STS-2
 Probe Info  		2.86  LDD0138  [14]
AEA-DA
 Probe Info  		9.33  LDD0146  [15]
DA-2
 Probe Info  		N.A.  LDD0071  [16]
STS-1
 Probe Info  		N.A.  LDD0068  [17]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0020  ARS-1620 HCC44 C188(0.90); C193(0.90)  LDD0078  [7]
 LDCM0108  Chloroacetamide HeLa N.A.  LDD0222  [6]
 LDCM0632  CL-Sc Hep-G2 C7(0.76)  LDD2227  [5]
 LDCM0082  FK866 A-549 9.33  LDD0146  [15]
 LDCM0107  IAA HeLa C87(0.00); H90(0.00)  LDD0221  [6]
 LDCM0022  KB02 42-MG-BA C145(1.23)  LDD2244  [18]
 LDCM0023  KB03 42-MG-BA C145(1.17); C87(2.13)  LDD2661  [18]
 LDCM0024  KB05 MEL167 C87(1.38)  LDD3316  [18]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C193(0.79)  LDD2123  [4]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C188(0.76)  LDD2127  [4]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C188(0.80)  LDD2136  [4]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C193(0.87)  LDD2137  [4]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Tyrosine-protein phosphatase non-receptor type 3 (PTPN3) Protein-tyrosine phosphatase family P26045
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Sprouty-related, EVH1 domain-containing protein 1 (SPRED1) . Q7Z699

The Drug(s) Related To This Target

Approved
Click To Hide/Show 8 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Acetylsalicylic Acid Small molecular drug DB00945
Fenofibrate Small molecular drug DB01039
Lumateperone Small molecular drug DB06077
Methylprednisolone Small molecular drug DB00959
Nabumetone Small molecular drug DB00461
Nadh Small molecular drug DB00157
Salicylic Acid Small molecular drug DB00936
Ozanimod . DB12612
Investigative
Click To Hide/Show 4 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
2-hydroxy-35-diiodobenzoic Acid Small molecular drug DB04674
Naringenin Small molecular drug DB03467
Epitestosterone . DB07768
Nicotinamide Adenine Dinucleotide Phosphate . DB03461
Discontinued
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Hexestrol Small molecular drug DB07931

References

1 Ynamide Electrophile for the Profiling of Ligandable Carboxyl Residues in Live Cells and the Development of New Covalent Inhibitors. J Med Chem. 2022 Aug 11;65(15):10408-10418. doi: 10.1021/acs.jmedchem.2c00272. Epub 2022 Jul 26.
2 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
3 Oxidant-Induced Bioconjugation for Protein Labeling in Live Cells. ACS Chem Biol. 2023 Jan 20;18(1):112-122. doi: 10.1021/acschembio.2c00740. Epub 2022 Dec 21.
4 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
5 N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w.
Mass spectrometry data entry: PXD041264
6 ACR-Based Probe for the Quantitative Profiling of Histidine Reactivity in the Human Proteome. J Am Chem Soc. 2023 Mar 8;145(9):5252-5260. doi: 10.1021/jacs.2c12653. Epub 2023 Feb 27.
7 Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. Nat Biotechnol. 2021 May;39(5):630-641. doi: 10.1038/s41587-020-00778-3. Epub 2021 Jan 4.
8 Enhancing Cysteine Chemoproteomic Coverage through Systematic Assessment of Click Chemistry Product Fragmentation. Anal Chem. 2022 Mar 8;94(9):3800-3810. doi: 10.1021/acs.analchem.1c04402. Epub 2022 Feb 23.
Mass spectrometry data entry: PXD028853
9 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
10 Sequence-Based Prediction of Cysteine Reactivity Using Machine Learning. Biochemistry. 2018 Jan 30;57(4):451-460. doi: 10.1021/acs.biochem.7b00897. Epub 2017 Oct 26.
11 Global profiling identifies a stress-responsive tyrosine site on EDC3 regulating biomolecular condensate formation. Cell Chem Biol. 2022 Dec 15;29(12):1709-1720.e7. doi: 10.1016/j.chembiol.2022.11.008. Epub 2022 Dec 6.
Mass spectrometry data entry: PXD038010
12 Global targeting of functional tyrosines using sulfur-triazole exchange chemistry. Nat Chem Biol. 2020 Feb;16(2):150-159. doi: 10.1038/s41589-019-0404-5. Epub 2019 Nov 25.
13 Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.
14 Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling. Angew Chem Int Ed Engl. 2013 Aug 12;52(33):8551-6. doi: 10.1002/anie.201300683. Epub 2013 Jun 10.
15 A Global Map of Lipid-Binding Proteins and Their Ligandability in Cells. Cell. 2015 Jun 18;161(7):1668-80. doi: 10.1016/j.cell.2015.05.045.
16 Cell-based proteome profiling of potential dasatinib targets by use of affinity-based probes. J Am Chem Soc. 2012 Feb 15;134(6):3001-14. doi: 10.1021/ja208518u. Epub 2012 Feb 1.
17 Proteome profiling reveals potential cellular targets of staurosporine using a clickable cell-permeable probe. Chem Commun (Camb). 2011 Oct 28;47(40):11306-8. doi: 10.1039/c1cc14824a. Epub 2011 Sep 16.
18 DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell. 2024 May 9;187(10):2536-2556.e30. doi: 10.1016/j.cell.2024.03.027. Epub 2024 Apr 22.
Mass spectrometry data entry: PXD047840