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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

NameCHEMBL77468
Molecular formulaC31H46BrN5O5
IUPAC name2-[[(2R)-2-[[2-(azocane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]hexanoic acid
Molecular weight648.643
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP6.3
SynonymsBDBM50051429
2-[(R)-2-{2-[(Azocane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(2-bromo-1H-indol-3-yl)-propionylamino]-hexanoic acid
Inchi KeyHCIDUUVZRHLCAT-NRUKRLKBSA-N
Inchi IDInChI=1S/C31H46BrN5O5/c1-4-5-14-24(30(40)41)34-29(39)26(19-22-21-13-9-10-15-23(21)33-27(22)32)35-28(38)25(18-20(2)3)36-31(42)37-16-11-7-6-8-12-17-37/h9-10,13,15,20,24-26,33H,4-8,11-12,14,16-19H2,1-3H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t24?,25?,26-/m1/s1
PubChem CID44314647
ChEMBLCHEMBL77468
IUPHARN/A
BindingDB50051429
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5027.0 nMPMID8691426BindingDB,ChEMBL

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