Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T95682 | Target Info | |||
| Target Name | Bromodomain adjacent to zinc finger 2A (BAZ2A) | ||||
| Synonyms | hWALp3; Transcription termination factor I-interacting protein 5; Tip5; TTF-I-interacting protein 5; KIAA0314; Bromodomain adjacent to zinc finger domain protein 2A | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BAZ2A | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: GSK2801 | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with GSK2801 chemical probe | PDB:7BL9 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [1] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RERLLRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFY |
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| Ligand Name: BAZ2-ICR | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with the chemical probe BAZ2-ICR | PDB:7BL8 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
MHSDLTFCEI
1804 ILMEMESHDA1814 AWPFLEPVNP1824 RLVSGYRRII1834 KNPMDFSTMR1844 ERLLRGGYTS 1854 SEEFAADALL1864 VFDNCQTFNE1874 DDSEVGKAGH1884 IMRRFFESRW1894 EEFY |
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| Ligand Name: 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 79 | PDB:7QYO | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RHRLSRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFYQ |
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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 .GKI or .GKI2 or .GKI3 or :3GKI;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1819 or .A:1820 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1878 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 5 | PDB:6FGG | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [4] |
| PDB Sequence |
LTFCEIILME
1808 MESHDAAWPF1818 LEPVNPRLVS1828 GYRRIIKNPM1838 DFSTMRERLL1848 RGGYTSSEEF 1858 AADALLVFDN1868 CQTFNEDDSE1878 VGKAGHIMRR1888 FFESRWEEFY1898 Q |
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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 .D9B or .D9B2 or .D9B3 or :3D9B;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1878 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(4-fluorobenzyl)-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1 | PDB:5OR8 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [5] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .JR4 or .JR42 or .JR43 or :3JR4;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 3 | PDB:6FGV | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [4] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .D9T or .D9T2 or .D9T3 or :3D9T;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 4 | PDB:6FGW | ||||
| Method | X-ray diffraction | Resolution | 2.73 Å | Mutation | No | [4] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .D9Q or .D9Q2 or .D9Q3 or :3D9Q;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with TP-238 chemical probe | PDB:7BLA | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | Yes | [6] |
| PDB Sequence |
SDLTFCEIIL
1806 MEMESHDAAW1816 PFLEPVNPRL1826 VSGYRRIIKN1836 PMDFSTMRHR1846 LSRGGYTSSE 1856 EFAADALLVF1866 DNCQTFNEDD1876 SEVGKAGHIM1886 RRFFESRWEE1896 FY |
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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 .WCS or .WCS2 or .WCS3 or :3WCS;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1828 or .A:1830 or .A:1834 or .A:1838 or .A:1865 or .A:1868 or .A:1869 or .A:1872 or .A:1873 or .A:1877 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP1816
2.982
PRO1817
2.561
PHE1818
2.699
GLU1820
4.696
VAL1822
2.295
ASN1823
3.946
LEU1826
2.381
VAL1827
2.805
SER1828
4.714
TYR1830
2.140
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| Ligand Name: 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 77 | PDB:7QXL | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RHRLSRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFY |
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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 .GGQ or .GGQ2 or .GGQ3 or :3GGQ;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1819 or .A:1820 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1878 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with triazole compound MS04-TN02 | PDB:7B7I | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RHRLSRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFY |
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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 .T1H or .T1H2 or .T1H3 or :3T1H;style chemicals stick;color identity;select .A:1813 or .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with triazole compound MS04-TN03 | PDB:7B82 | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RHRLSRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFY |
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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 .T3H or .T3H2 or .T3H3 or :3T3H;style chemicals stick;color identity;select .A:1813 or .A:1816 or .A:1817 or .A:1818 or .A:1819 or .A:1822 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with triazole compound MS04 | PDB:7B7B | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RHRLSRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFY |
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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 .T1B or .T1B2 or .T1B3 or :3T1B;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-[1-(3,5-Dimethoxyphenyl)piperidin-4-yl]-2,3-dimethylguanidine | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with compounds MS04 and B11 | PDB:7B7G | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RHRLSRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFY |
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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 .T1E or .T1E2 or .T1E3 or :3T1E;style chemicals stick;color identity;select .A:1813 or .A:1816 or .A:1826; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 63 | PDB:7QX2 | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RHRLSRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFY |
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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 .G1U or .G1U2 or .G1U3 or :3G1U;style chemicals stick;color identity;select .A:1813 or .A:1814 or .A:1816 or .A:1817 or .A:1818 or .A:1819 or .A:1820 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1878 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 88 | PDB:7QYU | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RHRLSRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFY |
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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 .GJC or .GJC2 or .GJC3 or :3GJC;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1819 or .A:1820 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 65 | PDB:7QX9 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRH1845 RLSRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .G2U or .G2U2 or .G2U3 or :3G2U;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1822 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 44 | PDB:7QWU | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRH1845 RLSRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .FWR or .FWR2 or .FWR3 or :3FWR;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1819 or .A:1822 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 78 | PDB:7QYE | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHSDLTFCE
1803 IILMEMESHD1813 AAWPFLEPVN1823 PRLVSGYRRI1833 IKNPMDFSTM1843 RHRLSRGGYT 1853 SSEEFAADAL1863 LVFDNCQTFN1873 EDDSEVGKAG1883 HIMRRFFESR1893 WEEFY |
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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 .GQF or .GQF2 or .GQF3 or :3GQF;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1878 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-1-[4-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(2,2-dimethylpropyl)piperazine-2-carboxamide | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 113 | PDB:7QZI | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [3] |
| PDB Sequence |
SDLTFCEIIL
1806 MEMESHDAAW1816 PFLEPVNPRL1826 VSGYRRIIKN1836 PMDFSTMRHR1846 LSRGGYTSSE 1856 EFAADALLVF1866 DNCQTFNEDD1876 SEVGKAGHIM1886 RRFFESRWEE1896 FY |
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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 .GHL or .GHL2 or .GHL3 or :3GHL;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with triazole compound MS04-TN04 | PDB:7BC2 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRH1845 RLSRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .T8Z or .T8Z2 or .T8Z3 or :3T8Z;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 104 | PDB:7QZC | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRH1845 RLSRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .GEJ or .GEJ2 or .GEJ3 or :3GEJ;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 111 | PDB:7QYW | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
SDLTFCEIIL
1806 MEMESHDAAW1816 PFLEPVNPRL1826 VSGYRRIIKN1836 PMDFSTMRHR1846 LSRGGYTSSE 1856 EFAADALLVF1866 DNCQTFNEDD1876 SEVGKAGHIM1886 RRFFESRWEE1896 FY |
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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 .GIJ or .GIJ2 or .GIJ3 or :3GIJ;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1826 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Methyl-~{n}-[(2~{r})-1-Methylsulfonylpropan-2-Yl]pyridin-3-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1 | PDB:6FGH | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .6RZ or .6RZ2 or .6RZ3 or :36RZ;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[4-(3-Methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 83 | PDB:7QZ0 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRH1845 RLSRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .GQX or .GQX2 or .GQX3 or :3GQX;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridine derivative 1 | PDB:5MGJ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .7MX or .7MX2 or .7MX3 or :37MX;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1827 or .A:1830 or .A:1868 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(1-Acetyl-1h-Indol-3-Yl)-N-(5-Hydroxy-2-Methylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with acetylindole compound UZH47 | PDB:6FGL | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .UO1 or .UO12 or .UO13 or :3UO1;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 98 | PDB:7QZB | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [3] |
| PDB Sequence |
SDLTFCEIIL
1806 MEMESHDAAW1816 PFLEPVNPRL1826 VSGYRRIIKN1836 PMDFSTMRHR1846 LSRGGYTSSE 1856 EFAADALLVF1866 DNCQTFNEDD1876 SEVGKAGHIM1886 RRFFESRWEE1896 FY |
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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 .GI0 or .GI02 or .GI03 or :3GI0;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1819 or .A:1820 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (S)-Isoquinoline-5-sulfonic acid pyrrolidin-3-ylamine | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with isoquinoline derivative fragment 9 | PDB:7QZT | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [3] |
| PDB Sequence |
SDLTFCEIIL
1806 MEMESHDAAW1816 PFLEPVNPRL1826 VSGYRRIIKN1836 PMDFSTMRER1846 LLRGGYTSSE 1856 EFAADALLVF1866 DNCQTFNEDD1876 SEVGKAGHIM1886 RRFFESRWEE1896 FY |
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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 .GIU or .GIU2 or .GIU3 or :3GIU;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1821 or .A:1822 or .A:1823 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 109 | PDB:7QYV | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [3] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRH1845 RLSRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .GJ4 or .GJ42 or .GJ43 or :3GJ4;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 45 | PDB:7QWF | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [3] |
| PDB Sequence |
MHSDLTFCEI
1804 ILMEMESHDA1814 AWPFLEPVNP1824 RLVSGYRRII1834 KNPMDFSTMR1844 ERLLRGGYTS 1854 SEEFAADALL1864 VFDNCQTFNE1874 DDSEVGKAGH1884 IMRRFFESRW1894 EEFY |
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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 .FS6 or .FS62 or .FS63 or :3FS6;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1819 or .A:1820 or .A:1822 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]guanidine | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with N-acetylpiperazine derivative fragment 18 | PDB:7R01 | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [3] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .GI7 or .GI72 or .GI73 or :3GI7;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 87 | PDB:7QZ4 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [3] |
| PDB Sequence |
SDLTFCEIIL
1806 MEMESHDAAW1816 PFLEPVNPRL1826 VSGYRRIIKN1836 PMDFSTMRHR1846 LSRGGYTSSE 1856 EFAADALLVF1866 DNCQTFNEDD1876 SEVGKAGHIM1886 RRFFESRWEE1896 FY |
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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 .GIZ or .GIZ2 or .GIZ3 or :3GIZ;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with GSK4027 chemical probe | PDB:7BLB | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [8] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRH1845 RLSRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .9ST or .9ST2 or .9ST3 or :39ST;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1821 or .A:1822 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: methyl 4-propionyl-1H-pyrrole-2-carboxylate | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2 | PDB:5MGK | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [7] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .7MW or .7MW2 or .7MW3 or :37MW;style chemicals stick;color identity;select .A:1817 or .A:1818 or .A:1822 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with compound UP39 | PDB:7BLC | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [9] |
| PDB Sequence |
SDLTFCEIIL
1806 MEMESHDAAW1816 PFLEPVNPRL1826 VSGYRRIIKN1836 PMDFSTMRER1846 LLRGGYTSSE 1856 EFAADALLVF1866 DNCQTFNEDD1876 SEVGKAGHIM1886 RRFFESRWEE1896 FY |
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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 .U2E or .U2E2 or .U2E3 or :3U2E;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with compound UZH23 | PDB:7BLD | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [10] |
| PDB Sequence |
SDLTFCEIIL
1806 MEMESHDAAW1816 PFLEPVNPRL1826 VSGYRRIIKN1836 PMDFSTMRER1846 LLRGGYTSSE 1856 EFAADALLVF1866 DNCQTFNEDD1876 SEVGKAGHIM1886 RRFFESRWEE1896 FY |
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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 .U2K or .U2K2 or .U2K3 or :3U2K;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 47 | PDB:7R0B | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [3] |
| PDB Sequence |
MHSDLTFCEI
1804 ILMEMESHDA1814 AWPFLEPVNP1824 RLVSGYRRII1834 KNPMDFSTMR1844 HRLSRGGYTS 1854 SEEFAADALL1864 VFDNCQTFNE1874 DDSEVGKAGH1884 IMRRFFESRW1894 EEFY |
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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 .GIE or .GIE2 or .GIE3 or :3GIE;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative fragment 25 | PDB:7QVU | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [3] |
| PDB Sequence |
MHSDLTFCEI
1804 ILMEMESHDA1814 AWPFLEPVNP1824 RLVSGYRRII1834 KNPMDFSTMR1844 ERLLRGGYTS 1854 SEEFAADALL1864 VFDNCQTFNE1874 DDSEVGKAGH1884 IMRRFFESRW1894 EEFY |
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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 .FIY or .FIY2 or .FIY3 or :3FIY;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-aminoethyl)-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 1 | PDB:6FG6 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [4] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .D8Q or .D8Q2 or .D8Q3 or :3D8Q;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-pyrrol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 61 | PDB:7QWY | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [3] |
| PDB Sequence |
MHSDLTFCEI
1804 ILMEMESHDA1814 AWPFLEPVNP1824 RLVSGYRRII1834 KNPMDFSTMR1844 ERLLRGGYTS 1854 SEEFAADALL1864 VFDNCQTFNE1874 DDSEVGKAGH1884 IMRRFFESRW1894 EEFY |
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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 .G0I or .G0I2 or .G0I3 or :3G0I;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 2 | PDB:6FGI | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [4] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .D9K or .D9K2 or .D9K3 or :3D9K;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4-Aminopiperidin-1-yl)(6-hydroxypyridin-3-yl)methanone | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with pyridone derivative fragment 36 | PDB:7QVV | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [3] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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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 .FI9 or .FI92 or .FI93 or :3FI9;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1822 or .A:1827 or .A:1830 or .A:1868 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 80 | PDB:7QYT | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
SDLTFCEIIL
1806 MEMESHDAAW1816 PFLEPVNPRL1826 VSGYRRIIKN1836 PMDFSTMRHR1846 LSRGGYTSSE 1856 EFAADALLVF1866 DNCQTFNEDD1876 SEVGKAGHIM1886 RRFFESRWEE1896 FY |
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GJI or .GJI2 or .GJI3 or :3GJI;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1820 or .A:1821 or .A:1822 or .A:1823 or .A:1826 or .A:1827 or .A:1830 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(Piperidin-4-yloxy)pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | BAZ2A bromodomain in complex with picolinamide derivative fragment 13 | PDB:7QVT | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [3] |
| PDB Sequence |
MHSDLTFCEI
1804 ILMEMESHDA1814 AWPFLEPVNP1824 RLVSGYRRII1834 KNPMDFSTMR1844 ERLLRGGYTS 1854 SEEFAADALL1864 VFDNCQTFNE1874 DDSEVGKAGH1884 IMRRFFESRW1894 EEFY |
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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 .FI5 or .FI52 or .FI53 or :3FI5;style chemicals stick;color identity;select .A:1817 or .A:1818 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Chloro-N-methylpicolinamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 4-chloropyridine derivative 3 | PDB:5MGL | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [7] |
| PDB Sequence |
LTFCEIILME
1808 MESHDAAWPF1818 LEPVNPRLVS1828 GYRRIIKNPM1838 DFSTMRERLL1848 RGGYTSSEEF 1858 AADALLVFDN1868 CQTFNEDDSE1878 VGKAGHIMRR1888 FFESRWEEFY1898 |
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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 .7MU or .7MU2 or .7MU3 or :37MU;style chemicals stick;color identity;select .A:1817 or .A:1818 or .A:1822 or .A:1827 or .A:1830 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[3-(2-Pyrimidinyloxy)phenyl]-1-ethanone | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with acetophenone derivative 4 | PDB:5MGM | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [7] |
| PDB Sequence |
LTFCEIILME
1808 MESHDAAWPF1818 LEPVNPRLVS1828 GYRRIIKNPM1838 DFSTMRERLL1848 RGGYTSSEEF 1858 AADALLVFDN1868 CQTFNEDDSE1878 VGKAGHIMRR1888 FFESRWEEFY1898 |
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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 .7MZ or .7MZ2 or .7MZ3 or :37MZ;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1819 or .A:1820 or .A:1821 or .A:1822 or .A:1827 or .A:1830 or .A:1868 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-fluoro-N-{3-[(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)formamido]propyl}benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 2 | PDB:6FGF | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [4] |
| PDB Sequence |
HSDLTFCEII
1805 LMEMESHDAA1815 WPFLEPVNPR1825 LVSGYRRIIK1835 NPMDFSTMRE1845 RLLRGGYTSS 1855 EEFAADALLV1865 FDNCQTFNED1875 DSEVGKAGHI1885 MRRFFESRWE1895 EFY |
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EN2 or .EN22 or .EN23 or :3EN2;style chemicals stick;color identity;select .A:1816 or .A:1817 or .A:1818 or .A:1822 or .A:1826 or .A:1827 or .A:1830 or .A:1868 or .A:1869 or .A:1872 or .A:1873 or .A:1879; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Chemical probes in the BAZ2A bromodomain | ||||
| REF 2 | Chemical probes in the BAZ2A bromodomain | ||||
| REF 3 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. ACS Med Chem Lett. 2022 Aug 3;13(9):1434-1443. | ||||
| REF 4 | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem. 2018 Jul 18;13(14):1479-1487. | ||||
| REF 5 | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model. 2017 Oct 23;57(10):2584-2597. | ||||
| REF 6 | Chemical probes in the BAZ2A bromodomain | ||||
| REF 7 | Discovery of BAZ2A bromodomain ligands. Eur J Med Chem. 2017 Oct 20;139:564-572. | ||||
| REF 8 | Chemical probes in the BAZ2A bromodomain | ||||
| REF 9 | Chemical probes in the BAZ2A bromodomain | ||||
| REF 10 | Chemical probes in the BAZ2A bromodomain | ||||
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