Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46185 | Target Info | |||
| Target Name | Muscarinic acetylcholine receptor M2 (CHRM2) | ||||
| Synonyms | M2 receptor; CHRM2 | ||||
| Target Type | Successful Target | ||||
| Gene Name | CHRM2 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Iperoxo | Ligand Info | |||
| Canonical SMILES | C[N+](C)(C)CC#CCOC1=NOCC1 | ||||
| InChI | 1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1 | ||||
| InChIKey | WXXOCGISBCTWPW-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 10104167 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6OIK Muscarinic acetylcholine receptor 2-Go complex | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
TFEVVFIVLV
29 AGSLSLVTII39 GNILVMVSIK49 VNRHLQTVNN59 YFLFSLACAD69 LIIGVFSMNL 79 YTLYTVIGYW89 PLGPVVCDLW99 LALDYVVSNA109 SVMNLLIISF119 DRYFCVTKPL 129 TYPVKRTTKM139 AGMMIAAAWV149 LSFILWAPAI159 LFWQFIVGVR169 TVEDGECYIQ 179 FFSNAAVTFG189 TAIAAFYLPV199 IIMTVLYWHI209 SRASKSRIKP379 SREKKVTRTI 389 LAILLAFIIT399 WAPYNVMVLI409 NTFCAPCIPN419 TVWTIGYWLC429 YINSTINPAC 439 YALCNATFKK449 TFKHLLMC
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| PDB ID: 4MQS Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo | ||||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
KTFEVVFIVL
28 VAGSLSLVTI38 IGNILVMVSI48 KVNRHLQTVN58 NYFLFSLACA68 DLIIGVFSMN 78 LYTLYTVIGY88 WPLGPVVCDL98 WLALDYVVSN108 ASVMNLLIIS118 FDRYFCVTKP 128 LTYPVKRTTK138 MAGMMIAAAW148 VLSFILWAPA158 ILFWQFIVGV168 RTVEDGECYI 178 QFFSNAAVTF188 GTAIAAFYLP198 VIIMTVLYWH208 ISRASKSPPP379 SREKKVTRTI 389 LAILLAFIIT399 WAPYNVMVLI409 NTFCAPCIPN419 TVWTIGYWLC429 YINSTINPAC 439 YALCNATFKK449 TFKHLLM
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| PDB ID: 4MQT Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620 | ||||||
| Method | X-ray diffraction | Resolution | 3.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
KTFEVVFIVL
28 VAGSLSLVTI38 IGNILVMVSI48 KVNRHLQTVN58 NYFLFSLACA68 DLIIGVFSMN 78 LYTLYTVIGY88 WPLGPVVCDL98 WLALDYVVSN108 ASVMNLLIIS118 FDRYFCVTKP 128 LTYPVKRTTK138 MAGMMIAAAW148 VLSFILWAPA158 ILFWQFIVGV168 RTVEDGECYI 178 QFFSNAAVTF188 GTAIAAFYLP198 VIIMTVLYWH208 ISRASKPSRE382 KKVTRTILAI 392 LLAFIITWAP402 YNVMVLINTF412 CAPCIPNTVW422 TIGYWLCYIN432 STINPACYAL 442 CNATFKKTFK452 HLLMC
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of the M1 and M2 muscarinic acetylcholine receptor/G-protein complexes. Science. 2019 May 10;364(6440):552-557. | ||||
| REF 2 | Activation and allosteric modulation of a muscarinic acetylcholine receptor. Nature. 2013 Dec 5;504(7478):101-6. | ||||
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