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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

NameCHEMBL1202004
Molecular formulaC60H78N8O20
IUPAC name11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexylamino]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one;oxalic acid
Molecular weight1231.32
Hydrogen bond acceptor24
Hydrogen bond donor12
XlogPNone
SynonymsN/A
Inchi KeyLUNNTHPNJWRDSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C52H70N8O4.4C2H2O4/c1-57(37-23-9-5-19-33-53-39-49(61)59-45-29-15-11-25-41(45)51(63)55-43-27-13-17-31-47(43)59)35-21-7-3-4-8-22-36-58(2)38-24-10-6-20-34-54-40-50(62)60-46-30-16-12-26-42(46)52(64)56-44-28-14-18-32-48(44)60;4*3-1(4)2(5)6/h11-18,25-32,53-54H,3-10,19-24,33-40H2,1-2H3,(H,55,63)(H,56,64);4*(H,3,4)(H,5,6)
PubChem CID49859839
ChEMBLCHEMBL1202004
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki14.79 nMPMID9767650ChEMBL

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