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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

NameCHEMBL2370245
Molecular formulaC44H51N7O10S2
IUPAC name(2S)-2-[[(4R,7S,10R,13S)-13-[[(2R)-2-acetamido-3,3-diphenylpropanoyl]amino]-7-[(2S)-butan-2-yl]-10-(carboxymethyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular weight902.051
Hydrogen bond acceptor12
Hydrogen bond donor9
XlogP3.2
SynonymsBDBM50032187
(S)-2-{[(4R,7S,10R,13S)-13-(2-Acetylamino-3,3-diphenyl-propionylamino)-7-((S)-sec-butyl)-10-carboxymethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carbonyl]-amino}-3-(1H-indol-3-yl)-propionic acid
Inchi KeyDLTKIIYVGQMDMK-HKVTWNDMSA-N
Inchi IDInChI=1S/C44H51N7O10S2/c1-4-24(2)37-42(58)49-34(41(57)48-32(44(60)61)19-28-21-45-30-18-12-11-17-29(28)30)23-63-62-22-33(40(56)47-31(20-35(53)54)39(55)51-37)50-43(59)38(46-25(3)52)36(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-18,21,24,31-34,36-38,45H,4,19-20,22-23H2,1-3H3,(H,46,52)(H,47,56)(H,48,57)(H,49,58)(H,50,59)(H,51,55)(H,53,54)(H,60,61)/t24-,31+,32-,33+,34-,37-,38+/m0/s1
PubChem CID73350066
ChEMBLCHEMBL2370245
IUPHARN/A
BindingDB50032187
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID7636842BindingDB,ChEMBL

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