Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameEndothelin receptor type B
SpeciesHomo sapiens (Human)
GeneEDNRB
SynonymETB receptor
ET-B
Endothelin receptor non-selective type
HSCR2
endothelin B receptor
[ Show all ]
DiseaseArrhythmia
Cancer
Cardiovascular disorder
Hypertension
Solid tumours
[ Show all ]
Length442
Amino acid sequenceMQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP24530
Protein Data Bank5xpr, 6igl, 5x93, 6igk
GPCR-HGmod modelP24530
3D structure modelThis structure is from PDB ID 5xpr.
BioLiPBL0388896, BL0388813, BL0433639, BL0433638, BL0388814
Therapeutic Target DatabaseT92828
ChEMBLCHEMBL1785
IUPHAR220
DrugBankBE0000043

Ligand

NameCHEMBL2440659
Molecular formulaC15H11FN4O2S
IUPAC name3-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
Molecular weight330.337
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.4
SynonymsAXVLPJHYYFHCHK-UHFFFAOYSA-N
SCHEMBL1487938
MolPort-039-338-054
BDBM50442525
ZINC68251494
[ Show all ]
Inchi KeyAXVLPJHYYFHCHK-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
PubChem CID50990953
ChEMBLCHEMBL2440659
IUPHARN/A
BindingDB50442525
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition<35.0 %PMID24074843ChEMBL

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