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

NameMas-related G-protein coupled receptor member X1
SpeciesRattus norvegicus (Rat)
GeneMrgprx1
SynonymSensory neuron-specific G-protein coupled receptor 1
DiseaseN/A for non-human GPCRs
Length323
Amino acid sequenceMDPTISSLSTESTTLNKTGHPSCRPILTLSFLVPIITLLGLAGNTIVLWLLGFRMRRKAISVYVLNLSLADSFFLCCHFIDSLMRIMNFYGIYAHKLSKEILGNAAIIPYISGLSILSAISTERCLSVLWPIWYHCHRPRNMSAIICVLIWVLSFLMGILDWFFSGFLGETHHHLWKNVDFIVTAFLIFLFMLLFGSSLALLVRILCGSRRKPLSRLYVTISLTVMVYLICGLPLGLYLFLLYWFGIHLHYPFCHIYQVTVLLSCVNSSANPIIYFLVGSFRHRKKHRSLKMVLKRALEETPEEDEYTDSHVQKPTEISERRC
UniProtQ8R4G1
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3341575
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3730405
Molecular formulaC31H30N2O2
IUPAC name[(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl] N-naphthalen-1-ylcarbamate
Molecular weight462.593
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.9
SynonymsN/A
Inchi KeyGWISHPBAFMUVHK-BDCODIICSA-N
Inchi IDInChI=1S/C31H30N2O2/c34-31(32-27-17-9-15-22-10-7-8-16-26(22)27)35-30-25-18-20-33(21-19-25)29(30)28(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17,25,28-30H,18-21H2,(H,32,34)/t29?,30-/m1/s1
PubChem CID11641227
ChEMBLCHEMBL3730405
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50904.0 nMNoneChEMBL
IC502200.0 nMNoneChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417