Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

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

NameCHEMBL568870
Molecular formulaC23H32NO2+
IUPAC name(R)-cyclohexyl-[5-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]furan-2-yl]-phenylmethanol
Molecular weight354.514
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.4
SynonymsCHEMBL1197371
BDBM50415154
Inchi KeyAVNRDCQRRUOTCC-REWPJTCUSA-N
Inchi IDInChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1/t20-,23-/m0/s1
PubChem CID44627860
ChEMBLN/A
IUPHARN/A
BindingDB50415154
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki33.11 nMPMID19928767BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417