Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T74166 | Target Info | |||
| Target Name | Neuronal acetylcholine receptor alpha-3/beta-4 (CHRNA3/B4) | ||||
| Synonyms | Neuronal acetylcholine receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | CHRNA3-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 |
SEAEHRLFER
10 LFEDYNEIIR20 PVANVSDPVI30 IHFEVSMSQL40 VKVDEVNQIM50 ETNLWLKQIW 60 NDYKLKWNPS70 DYGGAEFMRV80 PAQKIWKPDI90 VLYNNAVGDF100 QVDDKTKALL 110 KYTGEVTWIP120 PAIFKSSCKI130 DVTYFPFDYQ140 NCTMKFGSWS150 YDKAKIDLVL 160 IGSSMNLKDY170 WESGEWAIIK180 APGYKHDIKY190 NCCEEIYPDI200 TYSLYIRRLP 210 LFYTINLIIP220 CLLISFLTVL230 VFYLPSDCGE240 KVTLCISVLL250 SLTVFLLVIT 260 ETIPSTSLVI270 PLIGEYLLFT280 MIFVTLSIVI290 TVFVLNVHYR300 TPTTHTMPSW 310 VKTVFLNLLP320 RVMFMTRIKE412 AIQSVKYIAE422 NMKAQNEAKE432 IQDDWKYVAM 442 VIDRIFLWVF452 TLVCILGTAG462 LFLQPLM
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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 |
SEAEHRLFER
10 LFEDYNEIIR20 PVANVSDPVI30 IHFEVSMSQL40 VKVDEVNQIM50 ETNLWLKQIW 60 NDYKLKWNPS70 DYGGAEFMRV80 PAQKIWKPDI90 VLYNNAVGDF100 QVDDKTKALL 110 KYTGEVTWIP120 PAIFKSSCKI130 DVTYFPFDYQ140 NCTMKFGSWS150 YDKAKIDLVL 160 IGSSMNLKDY170 WESGEWAIIK180 APGYKHDIKY190 NCCEEIYPDI200 TYSLYIRRLP 210 LFYTINLIIP220 CLLISFLTVL230 VFYLPSDCGE240 KVTLCISVLL250 SLTVFLLVIT 260 ETIPSTSLVI270 PLIGEYLLFT280 MIFVTLSIVI290 TVFVLNVHYR300 TPTTHTMPSW 310 VKTVFLNLLP320 RVMFMTRIKE412 AIQSVKYIAE422 NMKAQNEAKE432 IQDDWKYVAM 442 VIDRIFLWVF452 TLVCILGTAG462 LFLQPLM
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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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