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 M4
SpeciesRattus norvegicus (Rat)
GeneChrm4
Synonymcholinergic receptor
cholinergic receptor, muscarinic 4
Chrm-4
HM3
M4 receptor
DiseaseN/A for non-human GPCRs
Length478
Amino acid sequenceMXNFTPVNGSSANQSVRLVTAAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLGCADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVPDKDTSNESSSGSATQNTKERPPTELSTAEATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProtP08485
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL317
IUPHAR16
DrugBankN/A

Ligand

NameVU0152121
Molecular formulaC24H30N4O3S
IUPAC name3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-[(1-methylpiperidin-3-yl)methoxy]thieno[2,3-b]pyridine-2-carboxamide
Molecular weight454.589
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.6
Synonyms3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-[(1-methylpiperidin-3-yl)methoxy]thieno[2,3-b]pyridine-2-carboxamide
BDBM48061
3-amino-4-methyl-6-[(1-methyl-3-piperidyl)methoxy]-N-p-anisyl-thieno[2,3-b]pyridine-2-carboxamide
3-azanyl-N-[(4-methoxyphenyl)methyl]-4-methyl-6-[(1-methylpiperidin-3-yl)methoxy]thieno[2,3-b]pyridine-2-carboxamide
cid_45142473
[ Show all ]
Inchi KeyCIBXLIIYKIADDU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N4O3S/c1-15-11-19(31-14-17-5-4-10-28(2)13-17)27-24-20(15)21(25)22(32-24)23(29)26-12-16-6-8-18(30-3)9-7-16/h6-9,11,17H,4-5,10,12-14,25H2,1-3H3,(H,26,29)
PubChem CID45142473
ChEMBLN/A
IUPHARN/A
BindingDB48061
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5010000.0 nMN/ABindingDB

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