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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

NameCHEMBL2165330
Molecular formulaC24H22BrClN6O6S
IUPAC nameN-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-amine
Molecular weight637.89
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50395635
Benzylsulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide
SCHEMBL14380741
ADKWUFCPMCLUKI-UHFFFAOYSA-N
Inchi KeyADKWUFCPMCLUKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22BrClN6O6S/c1-35-18-7-8-19(26)20(11-18)38-21-22(32-39(33,34)31-12-16-5-3-2-4-6-16)29-15-30-23(21)36-9-10-37-24-27-13-17(25)14-28-24/h2-8,11,13-15,31H,9-10,12H2,1H3,(H,29,30,32)
PubChem CID21041370
ChEMBLCHEMBL2165330
IUPHARN/A
BindingDB50395635
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50712.0 nMPMID22862294BindingDB,ChEMBL

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