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-2B adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdra2b
SynonymADRA2L1
alpha2B-adrenoceptor
alpha2B
alpha2-C2
alpha-2BAR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length453
Amino acid sequenceMSGPTMDHQEPYSVQATAAIASAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFWRAWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQRPEPRGLPQCELNQEAWYILASSIGSFFAPCLIMILVYLRIYVIAKRSHCRGLGAKRGSGEGESKKPQPVAGGVPTSAKVPTLVSPLSSVGEANGHPKPPREKEEGETPEDPEARALPPTWSALPRSGQGQKKGTSGATAEEGDEEDEEEVEECEPQTLPASPASVCNPPLQQPQTSRVLATLRGQVLLGKNVGVASGQWWRRRTQLSREKRFTFVLAVVIGVFVVCWFPFFFSYSLGAICPQHCKVPHGLFQFFFWIGYCNSSLNPVIYTVFNQDFRRAFRRILCRPWTQTGW
UniProtP19328
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL266
IUPHAR26
DrugBankN/A

Ligand

NameD0V8NS
Molecular formulaC25H30N2O3
IUPAC name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylnaphthalene-1,3-dione
Molecular weight406.526
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.2
SynonymsNSC_122211
2-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,3-dione
BDBM81772
GTPL524
CAS_122211
Inchi KeyOSEADGVOKYGIER-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3
PubChem CID122211
ChEMBLN/A
IUPHAR524
BindingDB81772
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.6 nMPMID1353247, PMID1656026BindingDB

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