Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83198 | Target Info | |||
| Target Name | Cysteines of Keap1 (KEAP1 Cysteines) | ||||
| Synonyms | Kelch-like protein 19-Cysteines; Kelch-like ECH-associated protein 1-Cysteines; KLHL19-Cysteines; KIAA0132-Cysteines; INrf2-Cysteines; Cytosolic inhibitor of Nrf2-Cysteines | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | KEAP1 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-(3-((3-(5-(Furan-2-Yl)-1,3,4-Oxadiazol-2-Yl)ureido)methyl)phenoxy)acetic Acid | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC(=C1)OCC(=O)O)CNC(=O)NC2=NN=C(O2)C3=CC=CO3 | ||||
| InChI | 1S/C16H14N4O6/c21-13(22)9-25-11-4-1-3-10(7-11)8-17-15(23)18-16-20-19-14(26-16)12-5-2-6-24-12/h1-7H,8-9H2,(H,21,22)(H2,17,18,20,23) | ||||
| InChIKey | COAUEHYQQBGZLC-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 70680427 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3VNG Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
PKVGRLIYTA
10 GGYFRQSLSY20 LEAYNPSDGT30 WLRLADLQVP40 RSGLAGCVVG50 GLLYAVGGRN 60 NSPDGNTDSS70 ALDCYNPMTN80 QWSPCAPMSV90 PRNRIGVGVI100 DGHIYAVGGS 110 HGCIHHNSVE120 RYEPERDEWH130 LVAPMLTRRI140 GVGVAVLNRL150 LYAVGGFDGT 160 NRLNSAECYY170 PERNEWRMIT180 AMNTIRSGAG190 VCVLHNCIYA200 AGGYDGQDQL 210 NSVERYDVET220 ETWTFVAPMK230 HRRSALGITV240 HQGRIYVLGG250 YDGHTFLDSV 260 ECYDPDTDTW270 SEVTRMTSGR280 SGVGVAVT
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| PDB ID: 3VNH Crystal Structure of Keap1 Soaked with Synthetic Small Molecular | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
PKVGRLIYTA
10 GGYFRQSLSY20 LEAYNPSDGT30 WLRLADLQVP40 RSGLAGCVVG50 GLLYAVGGRN 60 NSPDGNTDSS70 ALDCYNPMTN80 QWSPCAPMSV90 PRNRIGVGVI100 DGHIYAVGGS 110 HGCIHHNSVE120 RYEPERDEWH130 LVAPMLTRRI140 GVGVAVLNRL150 LYAVGGFDGT 160 NRLNSAECYY170 PERNEWRMIT180 AMNTIRSGAG190 VCVLHNCIYA200 AGGYDGQDQL 210 NSVERYDVET220 ETWTFVAPMK230 HRRSALGITV240 HQGRIYVLGG250 YDGHTFLDSV 260 ECYDPDTDTW270 SEVTRMTSGR280 SGVGVAVT
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization | ||||
| REF 2 | Crystal Structure of Keap1 Soaked with Synthetic Small Molecular | ||||
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