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GPCR

NameEndothelin receptor type B
SpeciesHomo sapiens (Human)
GeneEDNRB
Synonymendothelin B receptor
HSCR2
HSCR
ETB receptor
ET-BR
[ Show all ]
DiseaseArrhythmia
Hypertension
Pulmonary arterial hypertension
Solid tumours
Cancer
[ Show all ]
Length442
Amino acid sequenceMQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP24530
Protein Data Bank6igl, 6igk, 5xpr, 5x93
GPCR-HGmod modelP24530
3D structure modelThis structure is from PDB ID 6igl.
BioLiPBL0388813, BL0433639, BL0433638, BL0388896, BL0388814
Therapeutic Target DatabaseT92828
ChEMBLCHEMBL1785
IUPHAR220
DrugBankBE0000043

Ligand

NameCHEMBL267096
Molecular formulaC26H24O6
IUPAC name4-benzyl-3-(2,5-dimethoxyphenyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight432.472
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50057152
SCHEMBL8022433
4-Benzyl-3-(2,5-dimethoxy-phenyl)-5-hydroxy-5-(4-methoxy-phenyl)-5H-furan-2-one
Inchi KeyBDMQTGZMPJVDBO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24O6/c1-29-19-11-9-18(10-12-19)26(28)22(15-17-7-5-4-6-8-17)24(25(27)32-26)21-16-20(30-2)13-14-23(21)31-3/h4-14,16,28H,15H2,1-3H3
PubChem CID10646375
ChEMBLCHEMBL267096
IUPHARN/A
BindingDB50057152
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<2500.0 nMPMID9089328BindingDB,ChEMBL

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