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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

NameBRN 5837330
Molecular formulaC19H27N5O5S
IUPAC name3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-1-N-propylbenzene-1,3-diamine
Molecular weight437.515
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.7
Synonyms1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-propyl-
LS-29599
AC1MILIW
3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-1-N-propylbenzene-1,3-diamine
N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N''-propyl-benzene-1,3-diamine
[ Show all ]
Inchi KeyJONYPUKQVRMTRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27N5O5S/c1-4-7-20-16-10-17(19(24(27)28)11-18(16)23(25)26)21-8-9-30-13-15-6-5-14(29-15)12-22(2)3/h5-6,10-11,20-21H,4,7-9,12-13H2,1-3H3
PubChem CID3072506
ChEMBLCHEMBL106782
IUPHARN/A
BindingDB50004669
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503200.0 nMPMID1507203BindingDB,ChEMBL

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