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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

NameCHEMBL174818
Molecular formulaC31H41N5O7
IUPAC name2-[(1R)-1-[[(2S)-2-[(1-methoxycarbonylcyclohexyl)carbamoylamino]-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
Molecular weight595.697
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.2
SynonymsSCHEMBL9113915
2-[(R)-1-{(S)-2-[3-(1-Methoxycarbonyl-cyclohexyl)-ureido]-4-methyl-pentanoylamino}-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
BDBM50050010
Inchi KeyCAWORLTZNUHRES-XZOQPEGZSA-N
Inchi IDInChI=1S/C31H41N5O7/c1-18(2)15-22(33-30(41)35-31(29(40)42-5)13-9-6-10-14-31)26(37)32-23(27-34-25(28(38)39)19(3)43-27)16-20-17-36(4)24-12-8-7-11-21(20)24/h7-8,11-12,17-18,22-23H,6,9-10,13-16H2,1-5H3,(H,32,37)(H,38,39)(H2,33,35,41)/t22-,23+/m0/s1
PubChem CID10627333
ChEMBLCHEMBL174818
IUPHARN/A
BindingDB50050010
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<90000.0 nMPMID8632420BindingDB,ChEMBL

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