Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73724 | Target Info | |||
| Target Name | Neuronal acetylcholine receptor beta-4 (CHRNB4) | ||||
| Synonyms | CHRNB4; Beta-4 nAChR | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CHRNB4 | ||||
| Biochemical Class | Neurotransmitter receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cholesterol hemisuccinate | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C | ||||
| InChI | 1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1 | ||||
| InChIKey | WLNARFZDISHUGS-MIXBDBMTSA-N | ||||
| PubChem Compound ID | 65082 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6PV7 Human alpha3beta4 nicotinic acetylcholine receptor in complex with nicotine | ||||||
| Method | Electron microscopy | Resolution | 3.34 Å | Mutation | No | [1] |
| PDB Sequence |
RVANAEEKLM
10 DDLLNKTRYN20 NLIRPATSSS30 QLISIKLQLS40 LAQLISVNER50 EQIMTTNVWL 60 KQEWTDYRLT70 WNSSRYEGVN80 ILRIPAKRIW90 LPDIVLYNNA100 DGTYEVSVYT 110 NLIVRSNGSV120 LWLPPAIYKS130 ACKIEVKYFP140 FDQQNCTLKF150 RSWTYDHTEI 160 DMVLMTPTAS170 MDDFTPSGEW180 DIVALPGRRT190 VNPQDPSYVD200 VTYDFIIKRK 210 PLFYTINLII220 PCVLTTLLAI230 LVFYLPSDCG240 EKMTLCISVL250 LALTFFLLLI 260 SKIVPPTSLD270 VPLIGKYLMF280 TMVLVTFSIV290 TSVCVLNVHH300 RSPSTHTMAP 310 WVKRCFLHKL320 PTFLFMKRRQ401 DVQEALEGVS411 FIAQHMKNDD421 EDQSVVEDWK 431 YVAMVVDRLF441 LWVFMFVCVL451 GTVGLFLP
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| PDB ID: 6PV8 Human alpha3beta4 nicotinic acetylcholine receptor in complex with AT-1001 | ||||||
| Method | Electron microscopy | Resolution | 3.87 Å | Mutation | No | [1] |
| PDB Sequence |
RVANAEEKLM
10 DDLLNKTRYN20 NLIRPATSSS30 QLISIKLQLS40 LAQLISVNER50 EQIMTTNVWL 60 KQEWTDYRLT70 WNSSRYEGVN80 ILRIPAKRIW90 LPDIVLYNNA100 DGTYEVSVYT 110 NLIVRSNGSV120 LWLPPAIYKS130 ACKIEVKYFP140 FDQQNCTLKF150 RSWTYDHTEI 160 DMVLMTPTAS170 MDDFTPSGEW180 DIVALPGRRT190 VNPQDPSYVD200 VTYDFIIKRK 210 PLFYTINLII220 PCVLTTLLAI230 LVFYLPSDCG240 EKMTLCISVL250 LALTFFLLLI 260 SKIVPPTSLD270 VPLIGKYLMF280 TMVLVTFSIV290 TSVCVLNVHH300 RSPSTHTMAP 310 WVKRCFLHKL320 PTFLFMKRRQ401 DVQEALEGVS411 FIAQHMKNDD421 EDQSVVEDWK 431 YVAMVVDRLF441 LWVFMFVCVL451 GTVGLFLP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Agonist Selectivity and Ion Permeation in the Alpha3beta4 Ganglionic Nicotinic Receptor. Neuron. 2019 Nov 6;104(3):501-511.e6. | ||||
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