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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

NameCHEMBL368255
Molecular formulaC30H41N5O5
IUPAC name5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-[[(2S)-4-methyl-2-[(3-methylcyclohexyl)carbamoylamino]pentanoyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid
Molecular weight551.688
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.0
SynonymsSCHEMBL9109862
5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[3-(3-methyl-cyclohexyl)-ureido]-pentanoylamino}-ethyl)-oxazole-4-carboxylic acid
BDBM50050049
Inchi KeyAJFKBUVXIDWTCP-NWOKVLSISA-N
Inchi IDInChI=1S/C30H41N5O5/c1-17(2)13-23(33-30(39)31-21-10-8-9-18(3)14-21)27(36)32-24(28-34-26(29(37)38)19(4)40-28)15-20-16-35(5)25-12-7-6-11-22(20)25/h6-7,11-12,16-18,21,23-24H,8-10,13-15H2,1-5H3,(H,32,36)(H,37,38)(H2,31,33,39)/t18?,21?,23-,24+/m0/s1
PubChem CID44385940
ChEMBLCHEMBL368255
IUPHARN/A
BindingDB50050049
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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