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GPCR

NameEndothelin receptor type B
SpeciesSus scrofa (Pig)
GeneEDNRB
SynonymEndothelin receptor non-selective type
ET-B
ET-BR
DiseaseN/A for non-human GPCRs
Length443
Amino acid sequenceMQPLRSLCGRALVALIFACGVAGVQSEERGFPPAGATPPALRTGEIVAPPTKTFWPRGSNASLPRSSSPPQMPKGGRMAGPPARTLTPPPCEGPIEIKDTFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINVYKLLAEDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEALGFDMITTDYKGNRLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQNDSNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProtP35463
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3949
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL111769
Molecular formulaC26H34N2O7S
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[ethylsulfonyl(propyl)amino]ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight518.625
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP0.9
Synonyms1-[2-[Propyl(ethylsulfonyl)amino]ethyl]-2beta-(4-methoxyphenyl)-4beta-(1,3-benzodioxol-5-yl)pyrrolidine-3alpha-carboxylic acid
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[2-(ethanesulfonyl-propyl-amino)-ethyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
BDBM50061102
Inchi KeyGKCGBBQXEYNYKZ-SDUSCBPUSA-N
Inchi IDInChI=1S/C26H34N2O7S/c1-4-12-28(36(31,32)5-2)14-13-27-16-21(19-8-11-22-23(15-19)35-17-34-22)24(26(29)30)25(27)18-6-9-20(33-3)10-7-18/h6-11,15,21,24-25H,4-5,12-14,16-17H2,1-3H3,(H,29,30)/t21-,24-,25+/m1/s1
PubChem CID10142669
ChEMBLCHEMBL111769
IUPHARN/A
BindingDB50061102
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5095.0 nMPMID9379441BindingDB,ChEMBL

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