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GPCR

NameMuscarinic acetylcholine receptor M1
SpeciesHomo sapiens (Human)
GeneCHRM1
Synonymcholinergic receptor
cholinergic receptor, muscarinic 1
cholinergic receptor, muscarinic 1, CNS
Chrm-1
M1 receptor
[ Show all ]
DiseaseFunctional bowel syndrome; Irritable bowel syndrome
Glaucoma
Peptic ulcer
Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy
Visceral spasms
[ Show all ]
Length460
Amino acid sequenceMNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProtP11229
Protein Data Bank5cxv
GPCR-HGmod modelP11229
3D structure modelThis structure is from PDB ID 5cxv.
BioLiPBL0339262, BL0339261, BL0339263
Therapeutic Target DatabaseT28893
ChEMBLCHEMBL216
IUPHAR13
DrugBankBE0000092

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
SynonymsNCGC00024297-04
5,11-Dihydro-11-[(4-methyl-1-piperazinyl)acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
AKOS015969751
Prestwick1_000129
BSPBio_000178
[ 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
N/A N/ADrugBank
IC501.479 nMPMID25275964ChEMBL
IC501.5 nMPMID25275964BindingDB
IC502.1 nMPMID26988801, PMID27876250BindingDB
IC5012.0 nMPMID23466604, PMID18588282ChEMBL
IC5019.0 nMPMID20875743BindingDB,ChEMBL
IC5020.0 nMPMID25275964BindingDB
IC5020.42 nMPMID25275964ChEMBL
IC5021.0 nMPMID26988801, PMID27876250ChEMBL
IC5027.0 nMPMID23582449ChEMBL
IC5028.0 nMPMID9986705BindingDB
IC5028.2 nMPMID9986705ChEMBL
IC5029.0 nMPMID18983139ChEMBL
IC5048.98 nMPMID25275964ChEMBL
IC5049.0 nMPMID25275964BindingDB
IC50119.0 nMPMID10522693BindingDB,ChEMBL
Imax83.0 %PMID25275964ChEMBL
Imax>100.0 %PMID25275964ChEMBL
Inhibition96.7 %PMID25765911ChEMBL
KA0.011 uMPMID1379640ChEMBL
Kd20.0 nMPMID15294002BindingDB,ChEMBL
Ki2.818 nMPMID18595721ChEMBL
Ki2.82 nMPMID18595721BindingDB
Ki4.6 nM, Bioorg. Med. Chem. Lett., (1996) 6:7:785BindingDB,ChEMBL
Ki5.01187 - 15.8489 nMPMID12049493, PMID2704370, PMID7925952, PMID1994002, PMID9113359, PMID2043926IUPHAR
Ki6.30957 nMPMID1994002, PMID8016895PDSP
Ki6.31 nMPMID1994002BindingDB
Ki8.0 nMPMID1346637PDSP,BindingDB
Ki9.1 nMPMID23379472BindingDB,ChEMBL
Ki10.0 nMPMID23466604ChEMBL
Ki11.0 nMPMID9121349PDSP
Ki13.0 nMPMID1704434PDSP,BindingDB
Ki14.0 nMPMID7853341BindingDB,ChEMBL
Ki15.0 nMPMID25557493, PMID2385234, PMID24805037PDSP,BindingDB,ChEMBL
Ki16.0 nMPMID25557493BindingDB,ChEMBL
Ki21.3796 nMPMID13679167PDSP
Ki21.38 nMPMID13679167, PMID17889543BindingDB,ChEMBL
Ki23.5 nMPMID16302823, PMID15294002BindingDB,ChEMBL
Ki24.0 nMPMID15294002BindingDB
Ki25.0 nMPMID18983139ChEMBL
Ki33.0 nMPMID2537406PDSP,BindingDB

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