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

NameBeta-3 adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdrb3
Synonymbeta3-adrenoceptor
beta3-adrenergic receptor
Beta-3 adrenoreceptor
Beta-3 adrenoceptor
ADRB
[ Show all ]
DiseaseN/A for non-human GPCRs
Length400
Amino acid sequenceMAPWPHKNGSLAFWSDAPTLDPSAANTSGLPGVPWAAALAGALLALATVGGNLLVITAIARTPRLQTITNVFVTSLATADLVVGLLVMPPGATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGTLVTKRRARAAVVLVWIVSATVSFAPIMSQWWRVGADAEAQECHSNPRCCSFASNMPYALLSSSVSFYLPLLVMLFVYARVFVVAKRQRRLLRRELGRFPPEESPRSPSRSPSPATVGTPTASDGVPSCGRRPARLLPLGEHRALRTLGLIMGIFSLCWLPFFLANVLRALVGPSLVPSGVFIALNWLGYANSAFNPLIYCRSPDFRDAFRRLLCSYGGRGPEEPRVVTFPASPVASRQNSPLNRFDGYEGERPFPT
UniProtP26255
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4031
IUPHAR30
DrugBankN/A

Ligand

NameCHEMBL221188
Molecular formulaC31H37N5O5
IUPAC name6-[4-[2-[[(2S)-3-[[3-(2-cyclopropylethyl)-2-oxo-1H-benzimidazol-4-yl]oxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
Molecular weight559.667
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.4
SynonymsBDBM50193805
(S)-6-(4-(2-(3-(3-(2-cyclopropylethyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)-2-hydroxypropylamino)-2-methylpropyl)phenoxy)nicotinamide
Inchi KeyFYTAWHRFZVJYPT-QHCPKHFHSA-N
Inchi IDInChI=1S/C31H37N5O5/c1-31(2,16-21-8-11-24(12-9-21)41-27-13-10-22(17-33-27)29(32)38)34-18-23(37)19-40-26-5-3-4-25-28(26)36(30(39)35-25)15-14-20-6-7-20/h3-5,8-13,17,20,23,34,37H,6-7,14-16,18-19H2,1-2H3,(H2,32,38)(H,35,39)/t23-/m0/s1
PubChem CID44419316
ChEMBLCHEMBL221188
IUPHARN/A
BindingDB50193805
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC506.8 nMPMID16931005BindingDB,ChEMBL
Emax42.7 %PMID16931005ChEMBL

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