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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

Namepirenzepine
Molecular formulaC19H21N5O2
IUPAC name11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight351.41
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.1
SynonymsSBI-0050935.P003
CAS-29868-97-1
Spectrum5_001344
D0T0LM
EINECS 249-228-4
[ Show all ]
Inchi KeyRMHMFHUVIITRHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
PubChem CID4848
ChEMBLCHEMBL9967
IUPHAR328
BindingDB39341
DrugBankDB00670

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.8 nMPMID10571170BindingDB,ChEMBL
IC50120.0 nMPMID3373484BindingDB,ChEMBL
Ki<10000.0 nMPMID3272174BindingDB
Ki5.2 nM, Bioorg. Med. Chem. Lett., (1997) 7:8:979, PMID8464039, PMID1920350BindingDB,ChEMBL
Ki5.21 nMPMID8464039, PMID1920350ChEMBL
Ki6.457 nMPMID7932564, Bioorg. Med. Chem. Lett., (1995) 5:20:2325, PMID8246244, Bioorg. Med. Chem. Lett., (1995) 5:8:785ChEMBL
Ki6.46 nMPMID8246244BindingDB
Ki6.5 nMN/ABindingDB
Ki6.99 nMPMID2547939BindingDB
Ki9.0 nMPMID1646322BindingDB
Ki9.55 nMPMID2250662BindingDB
Ki12.5893 - 15.8489 nMPMID1325587, PMID2704370IUPHAR
Ki12.59 nMPMID2188581BindingDB
Ki16.0 nMPMID2704370BindingDB
Ki23.4 nMPMID1310135BindingDB
Ki29.0 nMPMID2066986BindingDB,ChEMBL
Ki1.25893e+17 nMPMID9703467ChEMBL
Potency100.0 nMPubChem BioAssay data setChEMBL
Potency125.9 nMPubChem BioAssay data setChEMBL

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