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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

NameCHEMBL311134
Molecular formulaC31H41N7O5
IUPAC name2-[[(2R)-2-[[2-cyclopropyl-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]acetyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular weight591.713
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP3.0
Synonyms2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-acetylamino}-3-(2-methyl-1H-indol-3-yl)-propionylamino]-3-(1H-imidazol-4-yl)-propionic acid
BDBM50051431
Inchi KeyDMUAWZXRYTUAPH-AOQHXWKCSA-N
Inchi IDInChI=1S/C31H41N7O5/c1-17-7-6-8-18(2)38(17)31(43)37-27(20-11-12-20)29(40)35-25(14-23-19(3)34-24-10-5-4-9-22(23)24)28(39)36-26(30(41)42)13-21-15-32-16-33-21/h4-5,9-10,15-18,20,25-27,34H,6-8,11-14H2,1-3H3,(H,32,33)(H,35,40)(H,36,39)(H,37,43)(H,41,42)/t17-,18+,25-,26?,27?/m1/s1
PubChem CID44314581
ChEMBLCHEMBL311134
IUPHARN/A
BindingDB50051431
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50170.0 nMPMID8691426BindingDB,ChEMBL

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