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

NameEndothelin receptor type B
SpeciesRattus norvegicus (Rat)
GeneEdnrb
SynonymHSCR
ETB receptor
ET-BR
ET-B
Endothelin receptor non-selective type
[ Show all ]
DiseaseN/A for non-human GPCRs
Length442
Amino acid sequenceMQSSASRCGRALVALLLACGLLGVWGEKRGFPPAQATPSLLGTKEVMTPPTKTSWTRGSNSSLMRSSAPAEVTKGGRVAGVPPRSFPPPCQRKIEINKTFKYINTIVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINAYKLLAGDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDVITSDYKGKPLRVCMLNPFQKTAFMQFYKTAKDWWLFSFYFCLPLAITAIFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQSNPQRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQTFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP21451
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4631
IUPHAR220
DrugBankN/A

Ligand

NameCHEMBL3144602
Molecular formulaC20H15F3N2O5
IUPAC name2,4-bis(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Molecular weight420.344
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.9
Synonyms1,4-Bis(1,3-benzodioxole-5-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-ol
BDBM50089727
2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromethyl-2H-pyrazol-3-ol
CHEMBL29956
Inchi KeyGSYUSCVEJUNUJA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15F3N2O5/c21-20(22,23)18-13(5-11-1-3-14-16(6-11)29-9-27-14)19(26)25(24-18)8-12-2-4-15-17(7-12)30-10-28-15/h1-4,6-7,24H,5,8-10H2
PubChem CID15340616
ChEMBLCHEMBL3144602
IUPHARN/A
BindingDB50089727
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5017000.0 nMPMID10890162BindingDB,ChEMBL

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