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GPCR

NameMuscarinic acetylcholine receptor M4
SpeciesHomo sapiens (Human)
GeneCHRM4
SynonymHM3
M4 receptor
cholinergic receptor
Chrm-4
cholinergic receptor, muscarinic 4
DiseaseProduce mydriasis and cycloplegia for diagnostic purposes
Hypertension
Irritable bowel syndrome
Moderate and severe psychomotor agitation
Mydriasis diagnosis
[ Show all ]
Length479
Amino acid sequenceMANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProtP08173
Protein Data Bank5dsg
GPCR-HGmod modelP08173
3D structure modelThis structure is from PDB ID 5dsg.
BioLiPBL0339919,BL0339921, BL0339920
Therapeutic Target DatabaseT20709, T50918
ChEMBLCHEMBL1821
IUPHAR16
DrugBankBE0000405

Ligand

Namesuloctidil
Molecular formulaC20H35NOS
IUPAC name(1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
Molecular weight337.566
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.8
Synonyms(1S,2R)-1-(4-(isopropylthio)phenyl)-2-(octylamino)propan-1-ol
AB00383060
CCG-220421
HMS2096E04
NCGC00022213-03
[ Show all ]
Inchi KeyBFCDFTHTSVTWOG-YLJYHZDGSA-N
Inchi IDInChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
PubChem CID657255
ChEMBLCHEMBL588119
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504561.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki636.1 nMDrugMatrix in vitro pharmacology dataChEMBL

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