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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

NameCHEMBL2304007
Molecular formulaC33H44N6O7
IUPAC name2-[(3R,6S,9R,12S,15S)-12-cyclopentyl-6-[(2-methyl-1H-indol-3-yl)methyl]-2,5,8,11,14-pentaoxo-9-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight636.75
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP2.7
SynonymsBDBM50422145
Inchi KeyAFWWJMMDFGQPEJ-FRINSPPISA-N
Inchi IDInChI=1S/C33H44N6O7/c1-17(2)27-31(44)35-23(15-21-18(3)34-22-12-7-6-11-20(21)22)29(42)36-24(16-26(40)41)33(46)39-14-8-13-25(39)30(43)38-28(32(45)37-27)19-9-4-5-10-19/h6-7,11-12,17,19,23-25,27-28,34H,4-5,8-10,13-16H2,1-3H3,(H,35,44)(H,36,42)(H,37,45)(H,38,43)(H,40,41)/t23-,24+,25-,27+,28-/m0/s1
PubChem CID71719078
ChEMBLCHEMBL2304007
IUPHARN/A
BindingDB50422145
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
IC50120.0 nMPMID8691426BindingDB,ChEMBL

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