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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameMuscarinic acetylcholine receptor M3
SpeciesRattus norvegicus (Rat)
GeneChrm3
SynonymM3R
M3 receptor
HM4
Chrm-3
cholinergic receptor, muscarinic 3, cardiac
[ Show all ]
DiseaseN/A for non-human GPCRs
Length589
Amino acid sequenceMTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProtP08483
Protein Data Bank4daj, 4u14, 4u15, 4u16, 5zhp
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4daj.
BioLiPBL0433837, BL0433838,BL0433839, BL0300355,BL0300356, BL0300353,BL0300354, BL0223908,BL0223909,BL0223910,, BL0300352
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL320
IUPHAR15
DrugBankN/A

Ligand

NameCHEMBL300660
Molecular formulaC25H33N5O2
IUPAC name11-[2-[2-[[butyl(methyl)amino]methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight435.572
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50018298
SCHEMBL10928978
11-[[2-[[Butyl(methyl)amino]methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6(11H)-one
11-(2-{2-[(Butyl-methyl-amino)-methyl]-piperidin-1-yl}-acetyl)-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
Inchi KeyCWVMCXHTAOYHOQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N5O2/c1-3-4-15-28(2)17-19-10-7-8-16-29(19)18-23(31)30-22-13-6-5-11-20(22)25(32)27-21-12-9-14-26-24(21)30/h5-6,9,11-14,19H,3-4,7-8,10,15-18H2,1-2H3,(H,27,32)
PubChem CID14590398
ChEMBLCHEMBL300660
IUPHARN/A
BindingDB50018298
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50200.0 nMPMID7966137, PMID2754696BindingDB,ChEMBL

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