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

NameAlpha-2C adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2C
Synonymalpha2-C4
Adra-2c
ADRA2L2
ADRA2RL2
Adrenergic alpha2C- receptor class I
[ Show all ]
DiseaseDiabetic nephropathy; Fibromyalgia
Hypertension
Heart failure
Glaucoma
Alzheimer disease
[ Show all ]
Length462
Amino acid sequenceMASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProtP18825
Protein Data BankN/A
GPCR-HGmod modelP18825
3D structure modelThis predicted structure model is from GPCR-EXP P18825.
BioLiPN/A
Therapeutic Target DatabaseT01777
ChEMBLCHEMBL1916
IUPHAR27
DrugBankBE0004864, BE0000342, BE0004888

Ligand

NameCHEMBL3588908
Molecular formulaC12H17NO3
IUPAC name2-[(2-methoxyphenoxy)methyl]morpholine
Molecular weight223.272
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.1
SynonymsBDBM50097716
CHUROPRTMCQLIS-UHFFFAOYSA-N
46714-32-3
2-[(2-Methoxyphenoxy)methyl]-morpholine
Morpholine, 2-[(2-methoxyphenoxy)methyl]-
[ Show all ]
Inchi KeyCHUROPRTMCQLIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H17NO3/c1-14-11-4-2-3-5-12(11)16-9-10-8-13-6-7-15-10/h2-5,10,13H,6-9H2,1H3
PubChem CID11333552
ChEMBLCHEMBL3588908
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<501187.0 nMPMID25648685ChEMBL
Emax<77.0 %PMID25648685ChEMBL
Emax81.0 %PMID25648685ChEMBL
Ki10471.3 nMPMID25648685ChEMBL

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