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

NameCHEMBL607222
Molecular formulaC54H54Br2N4O4
IUPAC name2-[(1S,9R,16S,18R,19R,20S,21S,29R,36S,38R,39R,40S)-35-phenacyl-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaen-15-yl]-1-phenylethanone;dibromide
Molecular weight982.858
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogPNone
Synonyms4,4'-Diphenacylcaracurinium V Dibromide
Inchi KeyKPOLUOXMVHJTQO-FQUJJUAESA-L
Inchi IDInChI=1S/C54H54N4O4.2BrH/c59-43(33-11-3-1-4-12-33)31-57-23-21-53-39-15-7-9-17-41(39)55-49(53)47-37(27-45(53)57)35(29-57)19-25-61-51(47)56-42-18-10-8-16-40(42)54-22-24-58(32-44(60)34-13-5-2-6-14-34)30-36-20-26-62-52(55)48(50(54)56)38(36)28-46(54)58;;/h1-20,37-38,45-52H,21-32H2;2*1H/q+2;;/p-2/t37-,38-,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,57?,58?;;/m0../s1
PubChem CID11389041
ChEMBLCHEMBL607222
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
EC0.256.1 -PMID15214783ChEMBL
pEC0.55.49 -PMID15214783ChEMBL

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