Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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 M3
SpeciesRattus norvegicus (Rat)
GeneChrm3
SynonymM3R
M3 receptor
HM4
Chrm-3
cholinergic receptor, muscarinic 3, cardiac
[ Show all ]
DiseaseN/A for non-human GPCRs
Length589
Amino acid sequenceMTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProtP08483
Protein Data Bank4daj, 4u14, 4u15, 4u16, 5zhp
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4daj.
BioLiPBL0433837, BL0433838,BL0433839, BL0300355,BL0300356, BL0300353,BL0300354, BL0223908,BL0223909,BL0223910,, BL0300352
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL320
IUPHAR15
DrugBankN/A

Ligand

NameCHEMBL422407
Molecular formulaC25H31N7O4
IUPAC name3-acetamido-N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]propanamide
Molecular weight493.568
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP-1.3
Synonyms5,11-Dihydro-11-[[4-[2-[3-(acetylamino)propanoylamino]ethyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
3-Acetylamino-N-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-ethyl)-propionamide
BDBM50012358
Inchi KeyFTSYUMRTYVZTSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N7O4/c1-18(33)26-10-8-22(34)27-11-12-30-13-15-31(16-14-30)17-23(35)32-21-7-3-2-5-19(21)25(36)29-20-6-4-9-28-24(20)32/h2-7,9H,8,10-17H2,1H3,(H,26,33)(H,27,34)(H,29,36)
PubChem CID15050951
ChEMBLCHEMBL422407
IUPHARN/A
BindingDB50012358
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<100000.0 nMPMID2066986BindingDB,ChEMBL

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