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
SpeciesRattus norvegicus (Rat)
GeneChrm2
Synonymcholinergic receptor
cholinergic receptor, muscarinic 2
AChR M2
Chrm-2
M2 muscarinic acetylcholine receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRIVKPNNNNMPGGDGGLEHNKIQNGKAPRDGVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSRDDNSKQTCIKIVTKAQKGDVCTPTSTTVELVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProtP10980
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL309
IUPHAR14
DrugBankN/A

Ligand

NameCHEMBL1202001
Molecular formulaC58H76N10O20
IUPAC name11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(5-oxo-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexylamino]acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one;oxalic acid
Molecular weight1233.3
Hydrogen bond acceptor26
Hydrogen bond donor12
XlogPNone
SynonymsN/A
Inchi KeyDDXKWMJFZQQOPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C50H68N10O4.4C2H2O4/c1-57(35-19-9-5-15-29-51-37-45(61)59-43-27-13-11-25-41(43)55-49(63)39-23-21-31-53-47(39)59)33-17-7-3-4-8-18-34-58(2)36-20-10-6-16-30-52-38-46(62)60-44-28-14-12-26-42(44)56-50(64)40-24-22-32-54-48(40)60;4*3-1(4)2(5)6/h11-14,21-28,31-32,51-52H,3-10,15-20,29-30,33-38H2,1-2H3,(H,55,63)(H,56,64);4*(H,3,4)(H,5,6)
PubChem CID49859836
ChEMBLCHEMBL1202001
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki20.89 nMPMID9767650ChEMBL

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