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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

NameCHEMBL415762
Molecular formulaC27H37N5O6S
IUPAC name2-[(1R)-1-[[(2S)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
Molecular weight559.682
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP3.8
Synonyms2-[(R)-1-[(S)-2-(Azepane-1-sulfonylamino)-4-methyl-pentanoylamino]-2-(1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
BDBM50050044
SCHEMBL9281570
2-[(R)-1-[[N-[[(Hexahydro-1H-azepin)-1-yl]sulfonyl]-L-leucyl]amino]-2-(1H-indol-3-yl)ethyl]-5-methyloxazole-4-carboxylic acid
Inchi KeyCYQSEDKCFQASLU-XZOQPEGZSA-N
Inchi IDInChI=1S/C27H37N5O6S/c1-17(2)14-22(31-39(36,37)32-12-8-4-5-9-13-32)25(33)29-23(26-30-24(27(34)35)18(3)38-26)15-19-16-28-21-11-7-6-10-20(19)21/h6-7,10-11,16-17,22-23,28,31H,4-5,8-9,12-15H2,1-3H3,(H,29,33)(H,34,35)/t22-,23+/m0/s1
PubChem CID10721589
ChEMBLCHEMBL415762
IUPHARN/A
BindingDB50050044
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nMPMID8632420BindingDB,ChEMBL

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