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GPCR

NameEndothelin-1 receptor
SpeciesRattus norvegicus (Rat)
GeneEdnra
Synonymendothelin A receptor
Endothelin receptor type A {ECO:0000312|RGD:2535}
ENDOR
endothelin-1 receptor
ET-A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length426
Amino acid sequenceMGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN
UniProtP26684
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4566
IUPHAR219
DrugBankN/A

Ligand

NameCHEMBL175277
Molecular formulaC33H43N5O5
IUPAC name2-[(1R)-1-[[(2S)-2-(1-adamantylcarbamoylamino)-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
Molecular weight589.737
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.4
SynonymsBDBM50050021
SCHEMBL9110212
2-[(R)-1-[(S)-2-(3-Adamantan-1-yl-ureido)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
Inchi KeyGDOJAPBZYKAXMB-CZAVTBICSA-N
Inchi IDInChI=1S/C33H43N5O5/c1-18(2)9-25(35-32(42)37-33-14-20-10-21(15-33)12-22(11-20)16-33)29(39)34-26(30-36-28(31(40)41)19(3)43-30)13-23-17-38(4)27-8-6-5-7-24(23)27/h5-8,17-18,20-22,25-26H,9-16H2,1-4H3,(H,34,39)(H,40,41)(H2,35,37,42)/t20?,21?,22?,25-,26+,33?/m0/s1
PubChem CID10841134
ChEMBLCHEMBL175277
IUPHARN/A
BindingDB50050021
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
IC50900.0 nMPMID8632420BindingDB,ChEMBL

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