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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

NameCHEMBL172506
Molecular formulaC34H42N6O5
IUPAC name(2R)-2-[[2-[(1S)-1-(azepane-1-carbonylamino)-3-methylbutyl]-5-[(1-methylindol-3-yl)methyl]-1,3-oxazole-4-carbonyl]amino]-3-pyridin-2-ylpropanoic acid
Molecular weight614.747
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.6
SynonymsBDBM50049982
(R)-2-{[2-{(S)-1-[(Azepane-1-carbonyl)-amino]-3-methyl-butyl}-5-(1-methyl-1H-indol-3-ylmethyl)-oxazole-4-carbonyl]-amino}-3-pyridin-2-yl-propionic acid
Inchi KeyAUUJKEHPADNLED-RRPNLBNLSA-N
Inchi IDInChI=1S/C34H42N6O5/c1-22(2)18-26(37-34(44)40-16-10-4-5-11-17-40)32-38-30(31(41)36-27(33(42)43)20-24-12-8-9-15-35-24)29(45-32)19-23-21-39(3)28-14-7-6-13-25(23)28/h6-9,12-15,21-22,26-27H,4-5,10-11,16-20H2,1-3H3,(H,36,41)(H,37,44)(H,42,43)/t26-,27+/m0/s1
PubChem CID10531851
ChEMBLCHEMBL172506
IUPHARN/A
BindingDB50049982
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nMPMID8632419BindingDB,ChEMBL

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