Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T74483 | Target Info | |||
| Target Name | Voltage-gated potassium channel Kv7.2 (KCNQ2) | ||||
| Synonyms | Voltage-gated potassium channel subunit Kv7.2; Neuroblastoma-specific potassium channel alpha subunit KvLQT2; Neuroblastoma-specific potassium channel KQT-like 2; KQT-like 2; KCNQ2; K+ channel KCNQ2 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | KCNQ2 | ||||
| Biochemical Class | Voltage-gated ion channel | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Retigabine | Ligand Info | |||
| Canonical SMILES | CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N | ||||
| InChI | 1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) | ||||
| InChIKey | PCOBBVZJEWWZFR-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 121892 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7CR2 human KCNQ2 in complex with retigabine | ||||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | No | [1] |
| PDB Sequence |
RNAFYRKLQN
79 FLYNVLERPR89 GWAFIYHAYV99 FLLVFSCLVL109 SVFSTIKEYE119 KSSEGALYIL 129 EIVTIVVFGV139 EYFVRIWAAG149 CCCRYRGWRG159 RLKFARKPFC169 VIDIMVLIAS 179 IAVLASALRS199 LRFLQILRMI209 RMDRRGGTWK219 LLGSVVYAHS229 KELVTAWYIG 239 FLCLILASFL249 VYLAEKGEND259 HFDTYADALW269 WGLITLTTIG279 YGDKYPQTWN 289 GRLLAATFTL299 IGVSFFALPA309 GILGSGFALK319 VQEQHRQKHF329 E |
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| PDB ID: 7CR7 human KCNQ2-CaM in complex with retigabine | ||||||
| Method | Electron microscopy | Resolution | 3.70 Å | Mutation | No | [1] |
| PDB Sequence |
RNAFYRKLQN
79 FLYNVLERPR89 GWAFIYHAYV99 FLLVFSCLVL109 SVFSTIKEYE119 KSSEGALYIL 129 EIVTIVVFGV139 EYFVRIWAAG149 CCCRYRGWRG159 RLKFARKPFC169 VIDIMVLIAS 179 IAVLASALRS199 LRFLQILRMI209 RMDRRGGTWK219 LLGSVVYAHS229 KELVTAWYIG 239 FLCLILASFL249 VYLAEKGEND259 HFDTYADALW269 WGLITLTTIG279 YGDKYPQTWN 289 GRLLAATFTL299 IGVSFFALPA309 GILGSGFALK319 VQEQHRQKHF329 EKRRNPAAGL 339 IQSAWRFYAT349 NLSRTDLHST359 WQYYERTVGL536 KVSIRAVCVM546 RFLVSKRKFK 556 ESLRPYDVMD566 VIEQYSAGHL576 DMLSRIKSLQ586 SRVDQIVGRG596 PAIT |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular basis for ligand activation of the human KCNQ2 channel. Cell Res. 2021 Jan;31(1):52-61. | ||||
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