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GPCR

NameEndothelin-1 receptor
SpeciesSus scrofa (Pig)
GeneEDNRA
SynonymEndothelin receptor type A {ECO:0000250|UniProtKB:P25101}
ET-A
ET-AR
DiseaseN/A for non-human GPCRs
Length427
Amino acid sequenceMETFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN
UniProtQ29010
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4130
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL336087
Molecular formulaC29H41N5O8
IUPAC name2-[(3S,6S,9R,12S,15R)-6-[(4-hydroxyphenyl)methyl]-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight587.674
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP1.7
SynonymsBDBM50407603
Inchi KeyCZUTYPMDQXVFIN-WGNYYXNJSA-N
Inchi IDInChI=1S/C29H41N5O8/c1-15(2)12-19-25(38)30-20(13-17-7-9-18(35)10-8-17)26(39)32-21(14-23(36)37)29(42)34-11-5-6-22(34)27(40)33-24(16(3)4)28(41)31-19/h7-10,15-16,19-22,24,35H,5-6,11-14H2,1-4H3,(H,30,38)(H,31,41)(H,32,39)(H,33,40)(H,36,37)/t19-,20+,21+,22-,24+/m1/s1
PubChem CID44357136
ChEMBLCHEMBL336087
IUPHARN/A
BindingDB50407603
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
IC5015000.0 nMPMID7473559BindingDB,ChEMBL

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