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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

NameCHEMBL312854
Molecular formulaC28H21ClN2O8
IUPAC name2-[(6-carboxy-4H-1,3-benzodioxin-8-yl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
Molecular weight548.932
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50093985
2-(6-Carboxy-4H-benzo[1,3]dioxin-8-ylmethyl)-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-phenyl-2H-pyrazole-3-carboxylic acid
1-(6-Carboxy-4H-1,3-benzodioxin-8-ylmethyl)-3-phenyl-4-(6-chloro-1,3-benzodioxole-5-ylmethyl)-1H-pyrazole-5-carboxylic acid
Inchi KeyCNNRQVOYWFOJPP-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H21ClN2O8/c29-21-10-23-22(37-14-38-23)9-16(21)8-20-24(15-4-2-1-3-5-15)30-31(25(20)28(34)35)11-18-6-17(27(32)33)7-19-12-36-13-39-26(18)19/h1-7,9-10H,8,11-14H2,(H,32,33)(H,34,35)
PubChem CID44320291
ChEMBLCHEMBL312854
IUPHARN/A
BindingDB50093985
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5044.0 nMPMID11086733BindingDB,ChEMBL

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