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GPCR

NameMuscarinic acetylcholine receptor M1
SpeciesRattus norvegicus (Rat)
GeneChrm1
Synonymcholinergic receptor, muscarinic 1
cholinergic receptor, muscarinic 1, CNS
cholinergic receptor
M1 muscarinic acetylcholine receptor
M1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length460
Amino acid sequenceMNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProtP08482
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL276
IUPHAR13
DrugBankN/A

Ligand

NameCHEMBL1773096
Molecular formulaC21H18FN3O4S
IUPAC name2-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Molecular weight427.45
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsSCHEMBL12072420
2-(1-(2-fluorobenzyl)-1H-indol-3-ylsulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
VU0366967-1
BDBM50343171
Inchi KeyAYEMFUUAKXKLKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18FN3O4S/c1-14-10-20(24-29-14)23-21(26)13-30(27,28)19-12-25(18-9-5-3-7-16(18)19)11-15-6-2-4-8-17(15)22/h2-10,12H,11,13H2,1H3,(H,23,24,26)
PubChem CID44129590
ChEMBLCHEMBL1773096
IUPHARN/A
BindingDB50343171
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID21194936BindingDB,ChEMBL

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