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
SpeciesBos taurus (Bovine)
GeneCHRM4
SynonymN/A
DiseaseN/A for non-human GPCRs
Length126
Amino acid sequenceMKQSVKKPPPPGDTTVRGELPNGKLEEAPPPVLPPPPRPMADKDTSNESSSGSATQNTKERPPTELSTTEATTPATPAPPLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANV
UniProtP41986
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

Namehexahydrosiladifenidol
Molecular formulaC20H33NOSi
IUPAC namecyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silane
Molecular weight331.575
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogPNone
SynonymsAC1L1GAQ
cyclohexyl(phenyl)(3-piperidin-1-ylpropyl)silanol
NSC_3602
BDBM81799
cyclohexylphenyl(3-piperidino-propyl)silanol
[ Show all ]
Inchi KeyQTBCATBNRIYMPB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2
PubChem CID3602
ChEMBLN/A
IUPHAR310
BindingDB81799
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki32.35 nMPMID9834968PDSP

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