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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

NameCHEMBL9050
Molecular formulaC27H34N2O6
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(pentyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
Molecular weight482.577
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.7
SynonymsBDBM50050985
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[(methyl-pentyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid
Inchi KeyFPISJZHXLWMBIL-OUIFVKKZSA-N
Inchi IDInChI=1S/C27H34N2O6/c1-4-5-6-13-28(2)24(30)16-29-15-21(19-9-12-22-23(14-19)35-17-34-22)25(27(31)32)26(29)18-7-10-20(33-3)11-8-18/h7-12,14,21,25-26H,4-6,13,15-17H2,1-3H3,(H,31,32)/t21-,25-,26+/m0/s1
PubChem CID11798998
ChEMBLCHEMBL9050
IUPHARN/A
BindingDB50050985
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50624.0 nMPMID8676339BindingDB,ChEMBL

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