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

NameBeta-2 adrenergic receptor
SpeciesMus musculus (Mouse)
GeneAdrb2
Synonymbeta2-adrenoceptor
beta-2 adrenoreceptor
Beta-2 adrenoceptor
beta-2 adrenergic receptor
Adrb-2
[ Show all ]
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMGPHGNDSDFLLAPNGSRAPDHDVTQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFIISLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKKAIDCYTEETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRDNLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEPNTCQLGQEREQELLCEDPPGMEGFVNCQGTVPSLSVDSQGRNCSTNDSPL
UniProtP18762
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3707
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL305051
Molecular formulaC25H35N3O4
IUPAC name(6R)-6-[[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]amino]-N-(4-methylphenyl)heptanamide
Molecular weight441.572
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.7
Synonyms6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino]-heptanoic acid p-tolylamide(S,R)
BDBM50010564
Inchi KeyMHHCJOYFYLUHFU-XXBNENTESA-N
Inchi IDInChI=1S/C25H35N3O4/c1-18-8-10-22(11-9-18)28-25(31)7-5-4-6-19(2)26-16-23(30)17-32-24-14-12-21(13-15-24)27-20(3)29/h8-15,19,23,26,30H,4-7,16-17H2,1-3H3,(H,27,29)(H,28,31)/t19-,23+/m1/s1
PubChem CID14485407
ChEMBLCHEMBL305051
IUPHARN/A
BindingDB50010564
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki810.0 nMPMID1967313BindingDB
Ki810.0 nMPMID1967313ChEMBL
Relative potency16.7 -PMID1967313ChEMBL

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