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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

NameCHEMBL45983
Molecular formulaC25H31N5O2
IUPAC name11-[2-[2-(piperidin-1-ylmethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight433.556
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
Synonyms11-[2-(2-Piperidin-1-ylmethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
BDBM50018311
SCHEMBL10930585
11-[[2-(Piperidinomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6(11H)-one
Inchi KeyCYFPJXMZQJRQQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N5O2/c31-23(18-29-16-7-4-9-19(29)17-28-14-5-1-6-15-28)30-22-12-3-2-10-20(22)25(32)27-21-11-8-13-26-24(21)30/h2-3,8,10-13,19H,1,4-7,9,14-18H2,(H,27,32)
PubChem CID13578555
ChEMBLCHEMBL45983
IUPHARN/A
BindingDB50018311
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501500.0 nMPMID7966137, PMID2754696BindingDB,ChEMBL

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