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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

NameCHEMBL114074
Molecular formulaC29H41N3O6
IUPAC name(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
Molecular weight527.662
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50066407
(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-[2-(4,5-dimethyl-oxazol-2-yl)-ethyl]-pyrrolidine-3-carboxylic acid
Inchi KeyBOGIUGRMOYWECN-AWVRMFGXSA-N
Inchi IDInChI=1S/C29H41N3O6/c1-5-7-13-31(14-8-6-2)27(33)17-32-16-22(21-9-11-24-25(15-21)37-18-36-24)28(29(34)35)23(32)10-12-26-30-19(3)20(4)38-26/h9,11,15,22-23,28H,5-8,10,12-14,16-18H2,1-4H3,(H,34,35)/t22-,23+,28-/m1/s1
PubChem CID44339662
ChEMBLCHEMBL114074
IUPHARN/A
BindingDB50066407
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501.05 nMPMID9703472BindingDB,ChEMBL

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