Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82543 | Target Info | |||
| Target Name | Neuronal acetylcholine receptor beta-2 (CHRNB2) | ||||
| Synonyms | Nicotinic acetylcholine receptor beta2; Nicotinic acetylcholine receptor beta 2-subunit protein; CHRNB2; Beta-2 nAChR; Alpha-4/beta-2 nicotinic receptor | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CHRNB2 | ||||
| Biochemical Class | Neurotransmitter receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Varenicline | Ligand Info | |||
| Canonical SMILES | C1C2CNCC1C3=CC4=NC=CN=C4C=C23 | ||||
| InChI | 1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2 | ||||
| InChIKey | JQSHBVHOMNKWFT-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 170361 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6UR8 CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline | ||||||
| Method | Electron microscopy | Resolution | 3.71 Å | Mutation | No | [1] |
| PDB Sequence |
DTEERLVEHL
11 LDPSRYNKLI21 RPATNGSELV31 TVQLMVSLAQ41 LISVHEREQI51 MTTNVWLTQE 61 WEDYRLTWKP71 EEFDNMKKVR81 LPSKHIWLPD91 VVLYNNADGM101 YEVSFYSNAV 111 VSYDGSIFWL121 PPAIYKSACK131 IEVKHFPFDQ141 QNCTMKFRSW151 TYDRTEIDLV 161 LKSEVASLDD171 FTPSGEWDIV181 ALPGRRNENP191 DDSTYVDITY201 DFIIRRKPLF 211 YTINLIIPCV221 LITSLAILVF231 YLPSDCGEKM241 TLCISVLLAL251 TVFLLLISKI 261 VPPTSLDVPL271 VGKYLMFTMV281 LVTFSIVTSV291 CVLNVHHRSP301 TTHTMAPWVK 311 VVFLEKLPAL321 LFMQQSVSED337 WKYVAMVIDR347 LFLWIFVFVC357 VFGTIGMF |
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| PDB ID: 6USF CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor with varenicline in complex with anti-BRIL synthetic antibody BAK5 | ||||||
| Method | Electron microscopy | Resolution | 3.87 Å | Mutation | No | [1] |
| PDB Sequence |
DTEERLVEHL
11 LDPSRYNKLI21 RPATNGSELV31 TVQLMVSLAQ41 LISVHEREQI51 MTTNVWLTQE 61 WEDYRLTWKP71 EEFDNMKKVR81 LPSKHIWLPD91 VVLYNNADGM101 YEVSFYSNAV 111 VSYDGSIFWL121 PPAIYKSACK131 IEVKHFPFDQ141 QNCTMKFRSW151 TYDRTEIDLV 161 LKSEVASLDD171 FTPSGEWDIV181 ALPGRRNENP191 DDSTYVDITY201 DFIIRRKPLF 211 YTINLIIPCV221 LITSLAILVF231 YLPSDCGEKM241 TLCISVLLAL251 TVFLLLISKI 261 VPPTSLDVPL271 VGKYLMFTMV281 LVTFSIVTSV291 CVLNVHHRSP301 TTHTMAPWVK 311 VVFLEKLPAL321 LFMQQSVSED337 WKYVAMVIDR347 LFLWIFVFVC357 VFGTIGMF |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun. 2020 Mar 27;11(1):1598. | ||||
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