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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 5840026
Molecular formulaC22H25N5O5S
IUPAC name1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-phenylbenzene-1,3-diamine
Molecular weight471.532
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.3
Synonyms3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-1-N-phenylbenzene-1,3-diamine
N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N''-phenyl-benzene-1,3-diamine
BDBM50004662
CHEMBL108163
N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-phenylbenzene-1,5-diamine
[ Show all ]
Inchi KeyGXKOKBLWYHLOTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25N5O5S/c1-25(2)14-17-8-9-18(32-17)15-33-11-10-23-19-12-20(24-16-6-4-3-5-7-16)22(27(30)31)13-21(19)26(28)29/h3-9,12-13,23-24H,10-11,14-15H2,1-2H3
PubChem CID3072513
ChEMBLCHEMBL108163
IUPHARN/A
BindingDB50004662
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC506400.0 nMPMID1507203BindingDB,ChEMBL

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