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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

NameCHEMBL3301647
Molecular formulaC30H40N6O7
IUPAC name(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-3-carboxylic acid
Molecular weight596.685
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.0
SynonymsN/A
Inchi KeyBJBFASHBXRYVQT-OEYYQIPYSA-N
Inchi IDInChI=1S/C30H40N6O7/c1-15(2)12-20-25(37)32-21(13-17-14-31-19-9-6-5-8-18(17)19)26(38)35-24(30(42)43)29(41)36-11-7-10-22(36)27(39)34-23(16(3)4)28(40)33-20/h5-6,8-9,14-16,20-24,31H,7,10-13H2,1-4H3,(H,32,37)(H,33,40)(H,34,39)(H,35,38)(H,42,43)/t20-,21+,22-,23+,24+/m0/s1
PubChem CID90683480
ChEMBLCHEMBL3301647
IUPHARN/A
BindingDBN/A
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
IC506700.0 nMPMID7473559ChEMBL

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