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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

NameCHEMBL2304018
Molecular formulaC30H39ClN6O7
IUPAC name2-[(3R,6S,9R,12S,15S)-6-[(2-chloro-1H-indol-3-yl)methyl]-2,5,8,11,14-pentaoxo-9,12-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight631.127
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP2.8
SynonymsBDBM50422137
Inchi KeyDLCXMDVICFLWKF-SKWRHMBASA-N
Inchi IDInChI=1S/C30H39ClN6O7/c1-14(2)23-28(42)33-19(12-17-16-8-5-6-9-18(16)32-25(17)31)26(40)34-20(13-22(38)39)30(44)37-11-7-10-21(37)27(41)35-24(15(3)4)29(43)36-23/h5-6,8-9,14-15,19-21,23-24,32H,7,10-13H2,1-4H3,(H,33,42)(H,34,40)(H,35,41)(H,36,43)(H,38,39)/t19-,20+,21-,23+,24-/m0/s1
PubChem CID71716644
ChEMBLCHEMBL2304018
IUPHARN/A
BindingDB50422137
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
IC5040.0 nMPMID8691426BindingDB,ChEMBL

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