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GPCR

NameMuscarinic acetylcholine receptor M1
SpeciesMus musculus (Mouse)
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 sequenceMNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProtP12657
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3733
IUPHAR13
DrugBankN/A

Ligand

NameCHEMBL445106
Molecular formulaC12H14BrNO2
IUPAC name(4S,6R)-11-bromo-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-6-amine
Molecular weight284.153
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.9
SynonymsBDBM50064706
(2aS)-6-Methoxy-8-bromo-2aalpha,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-4beta-amine
8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-4-ylamine
(2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-4-ylamine
Inchi KeyCLZKGXPLDDUCQZ-RNFRBKRXSA-N
Inchi IDInChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
PubChem CID10085260
ChEMBLCHEMBL445106
IUPHARN/A
BindingDB50064706
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
K 0.520.0 nMPMID9622555ChEMBL

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