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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

NameCHEMBL368461
Molecular formulaC29H32FN5O5
IUPAC name2-[(1R)-1-[[(2S)-2-[(2-fluorophenyl)carbamoylamino]-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
Molecular weight549.603
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.4
SynonymsBDBM50050032
SCHEMBL9111591
2-[(R)-1-{(S)-2-[3-(2-Fluoro-phenyl)-ureido]-4-methyl-pentanoylamino}-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
Inchi KeyBWSWTVFTHVTXER-XZOQPEGZSA-N
Inchi IDInChI=1S/C29H32FN5O5/c1-16(2)13-22(33-29(39)32-21-11-7-6-10-20(21)30)26(36)31-23(27-34-25(28(37)38)17(3)40-27)14-18-15-35(4)24-12-8-5-9-19(18)24/h5-12,15-16,22-23H,13-14H2,1-4H3,(H,31,36)(H,37,38)(H2,32,33,39)/t22-,23+/m0/s1
PubChem CID44386536
ChEMBLCHEMBL368461
IUPHARN/A
BindingDB50050032
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502400.0 nMPMID8632420BindingDB,ChEMBL

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