Structure of PDB 7t96 Chain A Binding Site BS02

Receptor Information
>7t96 Chain A (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLI
IGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDR
YFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTV
EDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKPPS
REKKVTRTILAILLAFIITWAPYNVMVLINTPCIPNTVWTIGYWLCYINS
TINPACYALCNATFKKTFKHLLMC
Ligand information
Ligand ID2CU
InChIInChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)
InChIKeyTYTGOXSAAQWLPJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1CCN(CC1)C(=O)COc2nc3sc(C(=O)NC4CC4)c(N)c3c(C)c2Cl
OpenEye OEToolkits 1.7.6Cc1c2c(c(sc2nc(c1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N
ACDLabs 12.01Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C
FormulaC19 H24 Cl N5 O3 S
Name3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide;
LY2119620 positive allosteric modulator of M2/M4 receptor
ChEMBLCHEMBL4089376
DrugBank
ZINCZINC000043129836
PDB chain7t96 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7t96 Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM
Resolution3.22 Å
Binding residue
(original residue number in PDB)		Y80 Y177 F181 N410 T423 Y426
Binding residue
(residue number reindexed from 1)		Y59 Y156 F160 N230 T240 Y243
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0016907 G protein-coupled acetylcholine receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7t96, PDBe:7t96, PDBj:7t96
PDBsum7t96
PubMed36690613
UniProtP08172|ACM2_HUMAN Muscarinic acetylcholine receptor M2 (Gene Name=CHRM2)

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