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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

Name184040-74-2
Molecular formulaC9H7ClN2O5S2
IUPAC name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid
Molecular weight322.734
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.8
Synonyms3-[(4-chloro-3-methyl-5-isoxazolyl)sulfamoyl]-2-thiophenecarboxylic acid
BCP12517
I14-32198
ZINC13815570
2-Thiophenecarboxylicacid, 3-[[(4-chloro-3-methyl-5-isoxazolyl)amino]sulfonyl]-
[ Show all ]
Inchi KeyBFHXYQAPYRDEDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H7ClN2O5S2/c1-4-6(10)8(17-11-4)12-19(15,16)5-2-3-18-7(5)9(13)14/h2-3,12H,1H3,(H,13,14)
PubChem CID10805820
ChEMBLCHEMBL67664
IUPHARN/A
BindingDB50289942
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nM, Bioorg. Med. Chem. Lett., (1997) 7:16:2093BindingDB,ChEMBL
Inhibition>50.0 %Bioorg. Med. Chem. Lett., (1997) 7:16:2093ChEMBL

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