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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

NameCHEMBL284785
Molecular formulaC27H41N5O6
IUPAC name3-[[(2R)-2-[[(2S)-2-[[tert-butyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
Molecular weight531.654
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP1.4
SynonymsBDBM50403471
Inchi KeyCDQLBYLNYKJEOM-FCHUYYIVSA-N
Inchi IDInChI=1S/C27H41N5O6/c1-17(2)14-21(31-26(38)32(12-13-33)27(3,4)5)25(37)30-22(24(36)28-11-10-23(34)35)15-18-16-29-20-9-7-6-8-19(18)20/h6-9,16-17,21-22,29,33H,10-15H2,1-5H3,(H,28,36)(H,30,37)(H,31,38)(H,34,35)/t21-,22+/m0/s1
PubChem CID44279458
ChEMBLCHEMBL284785
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
IC5053.0 nMBioorg. Med. Chem. Lett., (1995) 5:13:1395ChEMBL

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