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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

NameCHEMBL114201
Molecular formulaC27H29N5O6S
IUPAC name4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(2-pyrimidin-2-yloxyethoxy)pyrimidin-4-yl]benzenesulfonamide
Molecular weight551.618
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.0
Synonyms4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide
BDBM50104990
Inchi KeyCVAAEKLPFPRDCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O6S/c1-27(2,3)19-9-11-22(12-10-19)39(33,34)32-24-23(38-21-8-5-7-20(17-21)35-4)25(31-18-30-24)36-15-16-37-26-28-13-6-14-29-26/h5-14,17-18H,15-16H2,1-4H3,(H,30,31,32)
PubChem CID11827768
ChEMBLCHEMBL114201
IUPHARN/A
BindingDB50104990
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC501.9 nMPMID11585441BindingDB,ChEMBL

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