Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T72168 | Target Info | |||
| Target Name | Mineralocorticoid receptor (MR) | ||||
| Synonyms | Nuclear receptor subfamily 3 group C member 2; Mineralocorticoid receptor; MLR; MCR; Inner ear mineralocorticoid receptor; Delta | ||||
| Target Type | Successful Target | ||||
| Gene Name | NR3C2 | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Eplerenone | Ligand Info | |||||
| Structure Description | The structure of MR in complex with eplerenone. | PDB:5MWY | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [1] |
| PDB Sequence |
YFSPVMVLEN
744 IEPEIVYAGY754 DSSKPDTAEN764 LLSTLNRLAG774 KQMIQVVKWA784 KVLPGFKNLP 794 LEDQITLIQY804 SWMSLSSFAL814 SWRSYKHTNS824 QFLYFAPDLV834 FNEEKMHQSA 844 MYELCQGMHQ854 ISLQFVRLQL864 TFEEYTIMKV874 LLLLSTIPKD884 GLKSQAAFEE 894 MRTNYIKELR904 KMVTGQSWQR920 FYQLTKLLDS930 MHDLVSDLLE940 FCFYTFRESH 950 ALKVEFPAML960 VEIISDQLPK970 VESGNAKPLY980 FHRK
|
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|
|
LEU766
3.706
LEU769
3.550
ASN770
3.492
LEU772
4.108
ALA773
3.665
GLN776
3.127
TRP806
3.746
MET807
3.543
SER810
3.617
SER811
4.222
LEU814
3.474
ARG817
2.735
|
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| Ligand Name: Prednisone | Ligand Info | |||||
| Structure Description | Mineralocorticoid Receptor Double Mutant with Bound Cortisone | PDB:2AAX | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [2] |
| PDB Sequence |
ALVPQLSTIS
731 RALTPSPVMV741 LENIEPEIVY751 AGYDSSKPDT761 AENLLSTLNR771 LAGKQMIQVV 781 KWAKVLPGFK791 NLPLEDQITL801 IQYSWMSLLS811 FALSWRSYKH821 TNSQFLYFAP 831 DLVFNEEKMH841 QSAMYELCQG851 MHQISLQFVR861 LQLTFEEYTI871 MKVLLLLSTI 881 PKDGLKSQAA891 FEEMRTNYIK901 ELRKMVTKCN912 NSGQSWQRFY922 QLTKLLDSMH 932 DLVSDLLEFC942 FYTFRESHAL952 KVEFPAMLVE962 IISDQLPKVE972 SGNAKPLYFH 982 R
|
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|
|
LEU766
3.477
LEU769
2.872
ASN770
3.147
LEU772
3.793
ALA773
3.436
GLN776
3.263
TRP806
4.301
MET807
3.948
LEU810
3.704
SER811
4.204
LEU814
3.910
ARG817
2.707
|
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| Ligand Name: Spironolactone | Ligand Info | |||||
| Structure Description | Mineralocorticoid Receptor Double Mutant with Bound Spironolactone | PDB:2AB2 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [2] |
| PDB Sequence |
LVPQLSTISR
732 ALTPSPVMVL742 ENIEPEIVYA752 GYDSSKPDTA762 ENLLSTLNRL772 AGKQMIQVVK 782 WAKVLPGFKN792 LPLEDQITLI802 QYSWMSLLSF812 ALSWRSYKHT822 NSQFLYFAPD 832 LVFNEEKMHQ842 SAMYELCQGM852 HQISLQFVRL862 QLTFEEYTIM872 KVLLLLSTIP 882 KDGLKSQAAF892 EEMRTNYIKE902 LRKMVTKCNN913 SGQSWQRFYQ923 LTKLLDSMHD 933 LVSDLLEFCF943 YTFRESHALK953 VEFPAMLVEI963 ISDQLPKVES973 GNAKPLYFH |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SNL or .SNL2 or .SNL3 or :3SNL;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:829 or .A:835 or .A:845 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:946 or .A:954 or .A:956; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
3.522
LEU769
2.861
ASN770
3.261
LEU772
3.993
ALA773
3.676
GLN776
3.147
TRP806
4.213
MET807
3.676
LEU810
3.534
SER811
4.227
LEU814
3.890
ARG817
2.761
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Aldosterone | Ligand Info | |||||
| Structure Description | Mineralocorticoid Receptor with Bound Aldosterone | PDB:2AA2 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [2] |
| PDB Sequence |
LSTISRALTP
736 SPVMVLENIE746 PEIVYAGYDS756 SKPDTAENLL766 STLNRLAGKQ776 MIQVVKWAKV 786 LPGFKNLPLE796 DQITLIQYSW806 MSLSSFALSW816 RSYKHTNSQF826 LYFAPDLVFN 836 EEKMHQSAMY846 ELCQGMHQIS856 LQFVRLQLTF866 EEYTIMKVLL876 LLSTIPKDGL 886 KSQAAFEEMR896 TNYIKELRKM906 VTSGQSWQRF921 YQLTKLLDSM931 HDLVSDLLEF 941 CFYTFRESHA951 LKVEFPAMLV961 EIISDQLPKV971 ESGNAKPLYF981 HR |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AS4 or .AS42 or .AS43 or :3AS4;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:829 or .A:845 or .A:848 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956 or .A:960; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
3.871
LEU769
3.649
ASN770
2.790
LEU772
4.141
ALA773
3.639
GLN776
2.953
TRP806
3.937
MET807
3.835
SER810
3.667
SER811
4.156
LEU814
4.157
ARG817
3.069
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| Ligand Name: Progesterone | Ligand Info | |||||
| Structure Description | Mineralocorticoid Receptor S810L Mutant with Bound Progesterone | PDB:2AA6 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [2] |
| PDB Sequence |
ALVPQLSTIS
731 RALTPSPVMV741 LENIEPEIVY751 AGYDSSKPDT761 AENLLSTLNR771 LAGKQMIQVV 781 KWAKVLPGFK791 NLPLEDQITL801 IQYSWMSLLS811 FALSWRSYKH821 TNSQFLYFAP 831 DLVFNEEKMH841 QSAMYELCQG851 MHQISLQFVR861 LQLTFEEYTI871 MKVLLLLSTI 881 PKDGLKSQAA891 FEEMRTNYIK901 ELRKMVTKCN912 NSGQSWQRFY922 QLTKLLDSMH 932 DLVSDLLEFC942 FYTFRESHAL952 KVEFPAMLVE962 IISDQLPKVE972 SGNAKPLYFH 982
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STR or .STR2 or .STR3 or :3STR;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:829 or .A:845 or .A:848 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
4.022
LEU769
3.575
ASN770
3.323
LEU772
3.959
ALA773
3.614
GLN776
3.226
TRP806
4.191
MET807
3.817
LEU810
3.629
SER811
4.205
LEU814
3.802
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Dexamethasone | Ligand Info | |||||
| Structure Description | MR in complex with dexamethasone | PDB:4UDA | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [3] |
| PDB Sequence |
PVMVLENIEP
747 EIVYAGYDSS757 KPDTAENLLS767 TLNRLAGKQM777 IQVVKWAKVL787 PGFKNLPLED 797 QITLIQYSWM807 SLSSFALSWR817 SYKHTNSQFL827 YFAPDLVFNE837 EKMHQSAMYE 847 LCQGMHQISL857 QFVRLQLTFE867 EYTIMKVLLL877 LSTIPKDGLK887 SQAAFEEMRT 897 NYIKELRKMV907 TKSGQSWQRF921 YQLTKLLDSM931 HDLVSDLLEF941 CFYTFRESHA 951 LKVEFPAMLV961 EIISDQLPKV971 ESGNAKPLYF981 HR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DEX or .DEX2 or .DEX3 or :3DEX;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:829 or .A:845 or .A:848 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956 or .A:960; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU766
3.682
LEU769
3.484
ASN770
2.919
LEU772
4.086
ALA773
3.536
GLN776
3.137
TRP806
3.826
MET807
3.748
SER810
3.635
SER811
4.071
LEU814
4.154
ARG817
2.866
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| Ligand Name: B-Octylglucoside | Ligand Info | |||||
| Structure Description | Mineralocorticoid Receptor with Bound Aldosterone | PDB:2AA2 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [2] |
| PDB Sequence |
LSTISRALTP
736 SPVMVLENIE746 PEIVYAGYDS756 SKPDTAENLL766 STLNRLAGKQ776 MIQVVKWAKV 786 LPGFKNLPLE796 DQITLIQYSW806 MSLSSFALSW816 RSYKHTNSQF826 LYFAPDLVFN 836 EEKMHQSAMY846 ELCQGMHQIS856 LQFVRLQLTF866 EEYTIMKVLL876 LLSTIPKDGL 886 KSQAAFEEMR896 TNYIKELRKM906 VTSGQSWQRF921 YQLTKLLDSM931 HDLVSDLLEF 941 CFYTFRESHA951 LKVEFPAMLV961 EIISDQLPKV971 ESGNAKPLYF981 HR |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:762 or .A:763 or .A:766 or .A:844 or .A:937 or .A:940 or .A:941 or .A:944 or .A:952; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Deoxycorticosterone | Ligand Info | |||||
| Structure Description | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone and harboring the S810L mutation responsible for a severe form of hypertension | PDB:1Y9R | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [4] |
| PDB Sequence |
SPVMVLENIE
746 PEIVYAGYDS756 SKPDTAENLL766 STLNRLAGKQ776 MIQVVKWAKV786 LPGFKNLPLE 796 DQITLIQYSW806 MCLLSFALSW816 RSYKHTNSQF826 LYFAPDLVFN836 EEKMHQSAMY 846 ELCQGMHQIS856 LQFVRLQLTF866 EEYTIMKVLL876 LLSTIPKDGL886 KSQAAFEEMR 896 TNYIKELRKM906 VTSWQRFYQL924 TKLLDSMHDL934 VSDLLEFCFY944 TFRESHALKV 954 EFPAMLVEII964 SDQLPKVESG974 NAKPLYFHR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1CA or .1CA2 or .1CA3 or :31CA;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:829 or .A:845 or .A:848 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU766
3.856
LEU769
3.431
ASN770
3.131
LEU772
3.475
ALA773
3.437
GLN776
3.159
TRP806
4.573
MET807
3.354
LEU810
3.442
SER811
4.076
LEU814
3.069
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE | Ligand Info | |||||
| Structure Description | Structural and Biochemical Mechanisms for the Specificity of Hormone Binding and Coactivator Assembly by Mineralocorticoid Receptor | PDB:2A3I | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [5] |
| PDB Sequence |
RALTPSPVMV
741 LENIEPEIVY751 AGYDSSKPDT761 AENLLSTLNR771 LAGKQMIQVV781 KWAKVLPGFK 791 NLPLEDQITL801 IQYSWMSLSS811 FALSWRSYKH821 TNSQFLYFAP831 DLVFNEEKMH 841 QSAMYELCQG851 MHQISLQFVR861 LQLTFEEYTI871 MKVLLLLSTI881 PKDGLKSQAA 891 FEEMRTNYIK901 ELRKMVTKCP911 NNSGQSWQRF921 YQLTKLLDSM931 HDLVSDLLEF 941 CFYTFRESHA951 LKVEFPAMLV961 EIISDQLPKV971 ESGNAKPLYF981 HRK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C0R or .C0R2 or .C0R3 or :3C0R;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:829 or .A:845 or .A:848 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956 or .A:960; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU766
3.809
LEU769
3.501
ASN770
2.947
LEU772
3.882
ALA773
3.508
GLN776
3.053
TRP806
3.969
MET807
3.795
SER810
3.605
SER811
4.078
LEU814
4.108
ARG817
2.716
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| Ligand Name: 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one | Ligand Info | |||||
| Structure Description | Mineralocorticoid receptor in complex with (s)-13 | PDB:6GEV | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [6] |
| PDB Sequence |
YFSPVMVLEN
744 IEPEIVYAGY754 DSSKPDTAEN764 LLSTLNRLAG774 KQMIQVVKWA784 KVLPGFKNLP 794 LEDQITLIQY804 SWMSLLSFAL814 SWRSYKHTNS824 QFLYFAPDLV834 FNEEKMHQSA 844 MYELCQGMHQ854 ISLQFVRLQL864 TFEEYTIMKV874 LLLLSTIPKD884 GLKSQAAFEE 894 MRTNYIKELR904 KMVTKSPNNS914 GQSWQRFYQL924 TKLLDSMHDL934 VSDLLEFCFY 944 TFRESKVEFP957 AMLVEIISDQ967 LPKVESGNAK977 PLYFHRK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EWN or .EWN2 or .EWN3 or :3EWN;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:827 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU766
4.018
LEU769
3.524
ASN770
2.727
LEU772
3.739
ALA773
3.560
GLN776
3.320
TRP806
3.852
MET807
3.482
LEU810
3.797
SER811
3.525
LEU814
3.511
ARG817
3.846
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| Ligand Name: 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide | Ligand Info | |||||
| Structure Description | Mineralocorticoid receptor in complex with (s)-13 | PDB:6GGG | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | Yes | [6] |
| PDB Sequence |
IVYAGYDKPD
760 TAENLLSTLN770 RLAGKQMIQV780 VKWAKVLPGF790 KNLPLEDQIT800 LIQYSWMSLL 810 SFALSWRSYK820 HTNSQFLYFA830 PDLVFNEEKM840 HQSAMYELCQ850 GMHQISLQFV 860 RLQLTFEEYT870 IMKVLLLLST880 IPKDGLKSQA890 AFEEMRTNYI900 KELRKMVTKS 910 PNNSGQSWQR920 FYQLTKLLDS930 MHDLVSDLLE940 FCFYTFRESH950 ALKVEFPAML 960 VEIISDQLPK970 VESGNAKPLY980 FHR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EYN or .EYN2 or .EYN3 or :3EYN;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:827 or .A:829 or .A:840 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU766
3.785
LEU769
3.410
ASN770
2.654
LEU772
3.648
ALA773
3.532
GLN776
3.311
MET807
3.543
LEU810
3.795
SER811
3.595
LEU814
3.623
ARG817
3.051
LEU827
3.939
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| Ligand Name: [(3~{R})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide | Ligand Info | |||||
| Structure Description | Mineralocorticoid receptor in complex with (s)-13 | PDB:6GG8 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [6] |
| PDB Sequence |
SPVMVLENIE
746 PEIVYAGYDS756 SKPDTAENLL766 STLNRLAGKQ776 MIQVVKWAKV786 LPGFKNLPLE 796 DQITLIQYSW806 MSLSSFALSW816 RSYKHTNSQF826 LYFAPDLVFN836 EEKMHQSAMY 846 ELCQGMHQIS856 LQFVRLQLTF866 EEYTIMKVLL876 LLSTIPKDGL886 KSQAAFEEMR 896 TNYIKELRKM906 VTKSSWQRFY922 QLTKLLDSMH932 DLVSDLLEFC942 FYTFRESHAL 952 KVEFPAMLVE962 IISDQLPKVE972 SGNAKPLYFH982 RK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EY8 or .EY82 or .EY83 or :3EY8;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:827 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
4.025
LEU769
3.737
ASN770
2.760
LEU772
3.419
ALA773
3.591
GLN776
2.783
TRP806
4.187
MET807
3.455
SER810
3.157
SER811
3.437
LEU814
3.610
ARG817
3.407
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| Ligand Name: 2-[(3S)-7-Fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide | Ligand Info | |||||
| Structure Description | The structure of MR in complex with AZD9977. | PDB:5MWP | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [1] |
| PDB Sequence |
YFSPVMVLEN
744 IEPEIVYAGY754 DSSKPDTAEN764 LLSTLNRLAG774 KQMIQVVKWA784 KVLPGFKNLP 794 LEDQITLIQY804 SWMSLSSFAL814 SWRSYKHTNS824 QFLYFAPDLV834 FNEEKMHQSA 844 MYELCQGMHQ854 ISLQFVRLQL864 TFEEYTIMKV874 LLLLSTIPKD884 GLKSQAAFEE 894 MRTNYIKELR904 KMVTKSWQRF921 YQLTKLLDSM931 HDLVSDLLEF941 CFYTFRESHA 951 LKVEFPAMLV961 EIISDQLPKV971 ESGNAKPLYF981 HRK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ECV or .ECV2 or .ECV3 or :3ECV;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:827 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
4.029
LEU769
3.163
ASN770
2.803
LEU772
3.715
ALA773
3.499
GLN776
2.944
TRP806
4.620
MET807
3.569
SER810
3.101
SER811
3.074
LEU814
3.666
ARG817
3.240
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| Ligand Name: 3-Methyl-5,8-dioxa-17lambda6-thia-4,18-diazatetracyclo[18.2.2.19,13.02,6]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene 17,17-dioxide | Ligand Info | |||||
| Structure Description | MCR IN COMPLEX WITH ligand | PDB:5L7H | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [7] |
| PDB Sequence |
YFSPVMVLEN
744 IEPEIVYAGY754 DSSKPDTAEN764 LLSTLNRLAG774 KQMIQVVKWA784 KVLPGFKNLP 794 LEDQITLIQY804 SWMSLLSFAL814 SWRSYKHTNS824 QFLYFAPDLV834 FNEEKMHQSA 844 MYELCQGMHQ854 ISLQFVRLQL864 TFEEYTIMKV874 LLLLSTIPKD884 GLKSQAAFEE 894 MRTNYIKELR904 KMVTKSPNSG915 QSWQRFYQLT925 KLLDSMHDLV935 SDLLEFCFYT 945 FRESHALKVE955 FPAMLVEIIS965 DQLPKVESGN975 AKPLYFHRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6QG or .6QG2 or .6QG3 or :36QG;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:827 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:956 or .A:960; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
4.243
LEU769
3.593
ASN770
2.744
LEU772
3.617
ALA773
3.519
GLN776
3.302
TRP806
3.570
MET807
3.490
LEU810
3.428
SER811
3.143
LEU814
3.520
ARG817
3.543
|
|||||
| Ligand Name: N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | MCR IN COMPLEX WITH ligand | PDB:5L7E | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [7] |
| PDB Sequence |
SPVMVLENIE
746 PEIVYAGYDS756 SKPDTAENLL766 STLNRLAGKQ776 MIQVVKWAKV786 LPGFKNLPLE 796 DQITLIQYSW806 MSLLSFALSW816 RSYKHTNSQF826 LYFAPDLVFN836 EEKMHQSAMY 846 ELCQGMHQIS856 LQFVRLQLTF866 EEYTIMKVLL876 LLSTIPKDGL886 KSQAAFEEMR 896 TNYIKELRKM906 VTKSQSWQRF921 YQLTKLLDSM931 HDLVSDLLEF941 CFYTFRESHA 951 LKVEFPAMLV961 EIISDQLPKV971 ESGNAKPLYF981 HRK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6Q0 or .6Q02 or .6Q03 or :36Q0;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:829 or .A:845 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:956 or .A:960; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
4.195
LEU769
3.620
ASN770
2.713
LEU772
3.594
ALA773
3.715
GLN776
3.354
TRP806
3.518
MET807
3.495
LEU810
3.311
SER811
3.638
LEU814
3.493
|
|||||
| Ligand Name: N-[[4-[5-[(2,3-difluorophenoxy)methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methylcyclopropane-1-sulfonamide | Ligand Info | |||||
| Structure Description | MCR IN COMPLEX WITH ligand | PDB:5L7G | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [7] |
| PDB Sequence |
SPVMVLENIE
746 PEIVYAGYDS756 SKPDTAENLL766 STLNRLAGKQ776 MIQVVKWAKV786 LPGFKNLPLE 796 DQITLIQYSW806 MSLLSFALSW816 RSYKHTNSQF826 LYFAPDLVFN836 EEKMHQSAMY 846 ELCQGMHQIS856 LQFVRLQLTF866 EEYTIMKVLL876 LLSTIPKDGL886 KSQAAFEEMR 896 TNYIKELRKM906 VTKSPNSGQS917 WQRFYQLTKL927 LDSMHDLVSD937 LLEFCFYTFR 947 ESHALKVEFP957 AMLVEIISDQ967 LPKVESGNAK977 PLYFHRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6QE or .6QE2 or .6QE3 or :36QE;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:827 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:956 or .A:960; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
3.955
LEU769
3.461
ASN770
2.664
LEU772
3.593
ALA773
3.508
GLN776
3.303
TRP806
3.648
MET807
3.218
LEU810
3.387
SER811
3.596
LEU814
3.462
ARG817
3.617
|
|||||
| Ligand Name: 6-[1-(2,2-Difluoro-3-Hydroxypropyl)-5-(4-Fluorophenyl)-3-Methyl-1h-Pyrazol-4-Yl]-2h-1,4-Benzoxazin-3(4h)-One | Ligand Info | |||||
| Structure Description | Mineralocorticoid receptor ligand-binding domain with compuond 37a | PDB:4PF3 | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | Yes | [8] |
| PDB Sequence |
TPSPVMVLEN
744 IEPEIVYAGY754 DSSKPDTAEN764 LLSTLNRLAG774 KQMIQVVKWA784 KVLPGFKNLP 794 LEDQITLIQY804 SWMSLLSFAL814 SWRSYKHTNS824 QFLYFAPDLV834 FNEEKMHQSA 844 MYELCQGMHQ854 ISLQFVRLQL864 TFEEYTIMKV874 LLLLSTIPKD884 GLKSQAAFEE 894 MRTNYIKELR904 KMVTKCPNNS914 GQSWQRFYQL924 TKLLDSMHDL934 VSDLLEFCFY 944 TFRESHALKV954 EFPAMLVEII964 SDQLPKVESG974 NVKPLYFHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HFN or .HFN2 or .HFN3 or :3HFN;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:827 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956 or .A:960; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
3.902
LEU769
3.929
ASN770
2.815
LEU772
4.086
ALA773
3.321
GLN776
2.630
TRP806
3.798
MET807
3.584
LEU810
3.473
SER811
3.461
LEU814
3.696
ARG817
3.602
LEU827
4.365
|
|||||
| Ligand Name: 6-[(2s)-4-(4-Fluorophenyl)-2-Methyl-5-Oxo-2,5-Dihydrofuran-3-Yl]-2h-1,4-Benzoxazin-3(4h)-One | Ligand Info | |||||
| Structure Description | Mineralocorticoid receptor ligand-binding domain with compuond 2e | PDB:3WFG | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [9] |
| PDB Sequence |
TPSPVMVLEN
744 IEPEIVYAGY754 DSSKPDTAEN764 LLSTLNRLAG774 KQMIQVVKWA784 KVLPGFKNLP 794 LEDQITLIQY804 SWMSLLSFAL814 SWRSYKHTNS824 QFLYFAPDLV834 FNEEKMHQSA 844 MYELCQGMHQ854 ISLQFVRLQL864 TFEEYTIMKV874 LLLLSTIPKD884 GLKSQAAFEE 894 MRTNYIKELR904 KMVTKCPNNS914 GQSWQRFYQL924 TKLLDSMHDL934 VSDLLEFCFY 944 TFRESHALKV954 EFPAMLVEII964 SDQLPKVESG974 NVKPLYFHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WFG or .WFG2 or .WFG3 or :3WFG;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:827 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956 or .A:960; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
3.998
LEU769
3.654
ASN770
2.777
ALA773
3.565
GLN776
4.763
TRP806
3.672
MET807
3.599
LEU810
3.783
SER811
3.543
LEU814
3.597
LEU827
4.589
PHE829
3.728
|
|||||
| Ligand Name: 6-[4-(2,4-Difluorophenyl)-5-Oxo-2,5-Dihydrofuran-3-Yl]-2h-1,4-Benzoxazin-3(4h)-One | Ligand Info | |||||
| Structure Description | Mineralocorticoid receptor ligand-binding domain with compound 2b | PDB:3WFF | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [9] |
| PDB Sequence |
LSTISRALTP
736 SPVMVLENIE746 PEIVYAGYDS756 SKPDTAENLL766 STLNRLAGKQ776 MIQVVKWAKV 786 LPGFKNLPLE796 DQITLIQYSW806 MSLLSFALSW816 RSYKHTNSQF826 LYFAPDLVFN 836 EEKMHQSAMY846 ELCQGMHQIS856 LQFVRLQLTF866 EEYTIMKVLL876 LLSTIPKDGL 886 KSQAAFEEMR896 TNYIKELRKM906 VTKCPNNSGQ916 SWQRFYQLTK926 LLDSMHDLVS 936 DLLEFCFYTF946 RESHALKVEF956 PAMLVEIISD966 QLPKVESGNV976 KPLYFHRK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WFF or .WFF2 or .WFF3 or :3WFF;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:827 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
3.799
LEU769
3.538
ASN770
2.674
ALA773
3.584
GLN776
4.494
TRP806
4.806
MET807
3.424
LEU810
3.762
SER811
3.508
LEU814
3.567
LEU827
4.423
|
|||||
| Ligand Name: Desisobutyrylciclesonide | Ligand Info | |||||
| Structure Description | MR in complex with desisobutyrylciclesonide | PDB:4UDB | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | Yes | [3] |
| PDB Sequence |
SPVMVLENIE
746 PEIVYAGYDP759 DTAENLLSTL769 NRLAGKQMIQ779 VVKWAKVLPG789 FKNLPLEDQI 799 TLIQYSWMSL809 LSFALSWRSY819 KHTNSQFLYF829 APDLVFNEEK839 MHQSAMYELC 849 QGMHQISLQF859 VRLQLTFEEY869 TIMKVLLLLS879 TIPKDGLKSQ889 AAFEEMRTNY 899 IKELRKMVTK909 SPNNSGQSWQ919 RFYQLTKLLD929 SMHDLVSDLL939 EFCFYTFRES 949 HALKVEFPAM959 LVEIISDQLP969 KVESGNAKPL979 YFHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CV7 or .CV72 or .CV73 or :3CV7;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:806 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:829 or .A:835 or .A:840 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956 or .A:960; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
3.687
LEU769
3.488
ASN770
2.966
LEU772
4.040
ALA773
3.569
GLN776
3.255
TRP806
3.994
MET807
3.871
LEU810
3.595
SER811
4.088
LEU814
4.105
ARG817
2.990
PHE829
3.682
|
|||||
| Ligand Name: 6-[(1e)-2-Phenyl-N-(3-Sulfanyl-4h-1,2,4-Triazol-4-Yl)ethanimidoyl]-2h-1,4-Benzoxazin-3(4h)-One | Ligand Info | |||||
| Structure Description | Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist | PDB:3VHV | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [10] |
| PDB Sequence |
GSLSTISRAL
734 TPSPVMVLEN744 IEPEIVYAGY754 DSSKPDTAEN764 LLSTLNRLAG774 KQMIQVVKWA 784 KVLPGFKNLP794 LEDQITLIQY804 SWMSLLSFAL814 SWRSYKHTNS824 QFLYFAPDLV 834 FNEEKMHQSA844 MYELCQGMHQ854 ISLQFVRLQL864 TFEEYTIMKV874 LLLLSTIPKD 884 GLKSQAAFEE894 MRTNYIKELR904 KMVTKGQSWQ919 RFYQLTKLLD929 SMHDLVSDLL 939 EFCFYTFRES949 HALKVEFPAM959 LVEIISDQLP969 KVESGNVKPL979 YFHRK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LD2 or .LD22 or .LD23 or :3LD2;style chemicals stick;color identity;select .A:762 or .A:766 or .A:844 or .A:845 or .A:846 or .A:847 or .A:848 or .A:941 or .A:944 or .A:945 or .A:952 or .A:954; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-[(7s)-7-Phenyl-7h-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazin-6-Yl]-2h-1,4-Benzoxazin-3(4h)-One | Ligand Info | |||||
| Structure Description | Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist | PDB:3VHV | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [10] |
| PDB Sequence |
GSLSTISRAL
734 TPSPVMVLEN744 IEPEIVYAGY754 DSSKPDTAEN764 LLSTLNRLAG774 KQMIQVVKWA 784 KVLPGFKNLP794 LEDQITLIQY804 SWMSLLSFAL814 SWRSYKHTNS824 QFLYFAPDLV 834 FNEEKMHQSA844 MYELCQGMHQ854 ISLQFVRLQL864 TFEEYTIMKV874 LLLLSTIPKD 884 GLKSQAAFEE894 MRTNYIKELR904 KMVTKGQSWQ919 RFYQLTKLLD929 SMHDLVSDLL 939 EFCFYTFRES949 HALKVEFPAM959 LVEIISDQLP969 KVESGNVKPL979 YFHRK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LD1 or .LD12 or .LD13 or :3LD1;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:827 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
4.199
LEU769
3.334
ASN770
2.655
LEU772
3.601
ALA773
3.915
GLN776
3.271
MET807
3.516
LEU810
3.676
SER811
3.639
LEU814
3.826
ARG817
4.472
LEU827
4.888
|
|||||
| Ligand Name: 6-[(~{e})-(3-Fluoranyl-6~{h}-Benzo[c][1]benzoxepin-11-Ylidene)methyl]-4~{h}-1,4-Benzoxazin-3-One | Ligand Info | |||||
| Structure Description | Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists | PDB:5HCV | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [11] |
| PDB Sequence |
PVMVLENIEP
747 EIVYAGYPDT761 AENLLSTLNR771 LAGKQMIQVV781 KWAKVLPGFK791 NLPLEDQITL 801 IQYSWMSLSS811 FALSWRSYKH821 TNSQFLYFAP831 DLVFNEEKMH841 QSAMYELCQG 851 MHQISLQFVR861 LQLTFEEYTI871 MKVLLLLSTI881 PKDGLKSQAA891 FEEMRTNYIK 901 ELRKMVNSGQ916 SWQRFYQLTK926 LLDSMHDLVS936 DLLEFCFYTF946 RESHALKVEF 956 PAMLVEIISD966 QLPKVESGNA976 KPLYFH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .60R or .60R2 or .60R3 or :360R;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:807 or .A:810 or .A:811 or .A:814 or .A:817 or .A:829 or .A:845 or .A:848 or .A:849 or .A:852 or .A:938 or .A:941 or .A:942 or .A:945 or .A:954 or .A:956; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
4.061
LEU769
3.616
ASN770
2.707
LEU772
3.826
ALA773
3.914
GLN776
3.638
MET807
3.307
SER810
3.426
SER811
3.416
LEU814
3.682
ARG817
3.402
|
|||||
| Ligand Name: Esaxerenone | Ligand Info | |||||
| Structure Description | Crystal structure of mineralocorticoid receptor ligand binding domain in complex with esaxerenone | PDB:6L88 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [12] |
| PDB Sequence |
ENLLSTLNRL
772 AGKQMIQVVK782 WAKVLPGFKN792 LPLEDQITLI802 QYSWMSLSSF812 ALSWRSYKHT 822 NSQFLYFAPD832 LVMYELCQGM852 HQISLQFVRL862 QLTFEEYTIM872 KVLLLLSTIP 882 KDGLKSQAAF892 EEMRTNYIKE902 LRKMVTKSPN912 GQSWQRFYQL924 TKLLDSMHDL 934 VSDLLEFCFY944 PAMLVEIISD966 QLPKVGNAKP978 LYFHR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E6R or .E6R2 or .E6R3 or :3E6R;style chemicals stick;color identity;select .A:766 or .A:769 or .A:770 or .A:772 or .A:773 or .A:776 or .A:779 or .A:780 or .A:806 or .A:807 or .A:809 or .A:810 or .A:813 or .A:814 or .A:817 or .A:829 or .A:849 or .A:852 or .A:869 or .A:873 or .A:942; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU766
4.473
LEU769
3.510
ASN770
3.885
LEU772
4.036
ALA773
3.464
GLN776
3.182
GLN779
4.822
VAL780
3.858
TRP806
3.404
MET807
4.061
LEU809
4.293
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS One. 2018 Feb 23;13(2):e0193380. | ||||
| REF 2 | A ligand-mediated hydrogen bond network required for the activation of the mineralocorticoid receptor. J Biol Chem. 2005 Sep 2;280(35):31283-93. | ||||
| REF 3 | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure. 2015 Dec 1;23(12):2280-2290. | ||||
| REF 4 | Crystal structure of a mutant mineralocorticoid receptor responsible for hypertension. Nat Struct Mol Biol. 2005 Jun;12(6):554-5. | ||||
| REF 5 | Structural and biochemical mechanisms for the specificity of hormone binding and coactivator assembly by mineralocorticoid receptor. Mol Cell. 2005 Aug 5;19(3):367-80. | ||||
| REF 6 | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J Med Chem. 2019 Feb 14;62(3):1385-1406. | ||||
| REF 7 | Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity. ChemMedChem. 2017 Jan 5;12(1):50-65. | ||||
| REF 8 | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists. Bioorg Med Chem. 2014 Oct 1;22(19):5428-45. | ||||
| REF 9 | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists. Bioorg Med Chem. 2013 Oct 1;21(19):5983-94. | ||||
| REF 10 | Identification of benzoxazin-3-one derivatives as novel, potent, and selective nonsteroidal mineralocorticoid receptor antagonists. J Med Chem. 2011 Dec 22;54(24):8616-31. | ||||
| REF 11 | Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists. Bioorg Med Chem. 2016 Mar 15;24(6):1384-91. | ||||
| REF 12 | Crystal structure of the mineralocorticoid receptor ligand-binding domain in complex with a potent and selective nonsteroidal blocker, esaxerenone (CS-3150). FEBS Lett. 2020 May;594(10):1615-1623. | ||||
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