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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

NameCHEMBL77083
Molecular formulaC31H45N5O5
IUPAC name2-[[(2R)-2-[[2-cyclopropyl-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]acetyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanoic acid
Molecular weight567.731
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP4.7
SynonymsBDBM50051391
2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-acetylamino}-3-(2-methyl-1H-indol-3-yl)-propionylamino]-hexanoic acid
Inchi KeyAVDKZALHMMWCNH-MFDHTJENSA-N
Inchi IDInChI=1S/C31H45N5O5/c1-5-6-13-25(30(39)40)33-28(37)26(17-23-20(4)32-24-14-8-7-12-22(23)24)34-29(38)27(21-15-16-21)35-31(41)36-18(2)10-9-11-19(36)3/h7-8,12,14,18-19,21,25-27,32H,5-6,9-11,13,15-17H2,1-4H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,25?,26-,27?/m1/s1
PubChem CID44314905
ChEMBLCHEMBL77083
IUPHARN/A
BindingDB50051391
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC505.7 nMPMID8691426BindingDB,ChEMBL

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