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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

NameCHEMBL308621
Molecular formulaC32H45N7O5
IUPAC name2-[[(2R)-2-[[2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular weight607.756
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP4.0
SynonymsBDBM50051411
2-[(R)-2-{2-[((2S,6R)-2,6-Dimethyl-piperidine-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(2-methyl-1H-indol-3-yl)-propionylamino]-3-(1H-imidazol-4-yl)-propionic acid
Inchi KeyBGEFPQTXZJNKSN-NYTDMIIGSA-N
Inchi IDInChI=1S/C32H45N7O5/c1-18(2)13-26(38-32(44)39-19(3)9-8-10-20(39)4)29(40)36-27(15-24-21(5)35-25-12-7-6-11-23(24)25)30(41)37-28(31(42)43)14-22-16-33-17-34-22/h6-7,11-12,16-20,26-28,35H,8-10,13-15H2,1-5H3,(H,33,34)(H,36,40)(H,37,41)(H,38,44)(H,42,43)/t19-,20+,26?,27-,28?/m1/s1
PubChem CID44314906
ChEMBLCHEMBL308621
IUPHARN/A
BindingDB50051411
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
IC502.8 nMPMID8691426BindingDB,ChEMBL

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