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 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

NameCHEMBL331543
Molecular formulaC44H50Br2N4O2
IUPAC name(2E)-2-[(1S,9R,16S,18R,21S,29Z,31S,37S)-15,34-bis(prop-2-enyl)-10-oxa-8,28-diaza-15,34-diazoniadodecacyclo[29.5.2.215,21.11,30.02,7.09,19.013,18.016,21.020,28.022,27.034,37.08,39]hentetraconta-2,4,6,12,22,24,26,29-octaen-32-ylidene]ethanol;dibromide
Molecular weight826.718
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyGTKQVXGEVGRQTE-FVILBSJLSA-L
Inchi IDInChI=1S/C44H50N4O2.2BrH/c1-3-17-47-19-15-43-34-10-6-8-12-36(34)46-40(43)32(30(23-37(43)47)28(26-47)13-21-49)25-45-35-11-7-5-9-33(35)44-16-20-48(18-4-2)27-29-14-22-50-42(46)39(41(44)45)31(29)24-38(44)48;;/h3-14,25,30-31,37-42,49H,1-2,15-24,26-27H2;2*1H/q+2;;/p-2/b28-13-,32-25-;;/t30-,31-,37-,38-,39?,40?,41?,42+,43+,44+,47?,48?;;/m0../s1
PubChem CID44345793
ChEMBLCHEMBL331543
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
EC0.25118.8 -PMID15214783ChEMBL
pEC0.58.57 -PMID15214783ChEMBL

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