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 DMFold 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 M2
SpeciesSus scrofa (Pig)
GeneCHRM2
SynonymN/A
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMNNSTNSSNSGLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQEPVSPSLVQGRIVKPNNNNMPGSDEALEHNKIQNGKAPRDAVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIKIVTKTQKSDSCTPANTTVELVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProtP06199
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4781
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL169001
Molecular formulaC34H48N4O4+2
IUPAC name3-(1,3-dioxoisoindol-2-yl)propyl-[8-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]octyl]-dimethylazanium
Molecular weight576.782
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsCHEMBL31518
Octamethylenebis[(3-phthalimidylpropyl)dimethylaminium]
BDBM50074573
Bis-{3-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)propyl(trimethyl)ammonium}hexane; dibromide
Inchi KeyAAEHSNQGNMSUAL-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H48N4O4/c1-37(2,25-15-21-35-31(39)27-17-9-10-18-28(27)32(35)40)23-13-7-5-6-8-14-24-38(3,4)26-16-22-36-33(41)29-19-11-12-20-30(29)34(36)42/h9-12,17-20H,5-8,13-16,21-26H2,1-4H3/q+2
PubChem CID10818763
ChEMBLCHEMBL31518
IUPHARN/A
BindingDB50074573
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50570.0 nMPMID10072682BindingDB
EC50570.16 nMPMID12672239ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218