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GPCR

NameMuscarinic acetylcholine receptor M3
SpeciesRattus norvegicus (Rat)
GeneChrm3
SynonymM3R
Chrm-3
cholinergic receptor
cholinergic receptor, muscarinic 3, cardiac
HM4
[ Show all ]
DiseaseN/A for non-human GPCRs
Length589
Amino acid sequenceMTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProtP08483
Protein Data Bank5zhp, 4u16, 4u14, 4daj, 4u15
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 5zhp.
BioLiPBL0300355,BL0300356, BL0300353,BL0300354, BL0223908,BL0223909,BL0223910,, BL0300352, BL0433838,BL0433839, BL0433837
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL320
IUPHAR15
DrugBankN/A

Ligand

NameCHEMBL104985
Molecular formulaC14H18ClN3O
IUPAC name5-chloro-7-methyl-2-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazole
Molecular weight279.768
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.4
SynonymsSCHEMBL2743725
HUKVXBOLNLWFQV-UHFFFAOYSA-N
BDBM50066000
5-chloro-7-methyl-2-(4-methyl-1-homopiperazinyl)benzoxazole
5-Chloro-7-methyl-2-(4-methyl-[1,4]diazepan-1-yl)-benzooxazole
[ Show all ]
Inchi KeyHUKVXBOLNLWFQV-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18ClN3O/c1-10-8-11(15)9-12-13(10)19-14(16-12)18-5-3-4-17(2)6-7-18/h8-9H,3-7H2,1-2H3
PubChem CID9795675
ChEMBLCHEMBL104985
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition5.0 %PMID9685241ChEMBL
Inhibition59.0 %PMID9685241ChEMBL

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