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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

NameCHEMBL368853
Molecular formulaC29H32FN5O5
IUPAC name2-[(1R)-1-[[(2S)-2-[(3-fluorophenyl)carbamoylamino]-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
Molecular weight549.603
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.4
SynonymsBDBM50050016
SCHEMBL9111130
2-[(R)-1-{(S)-2-[3-(3-Fluoro-phenyl)-ureido]-4-methyl-pentanoylamino}-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
Inchi KeyCEZABYWXBHMBEC-XZOQPEGZSA-N
Inchi IDInChI=1S/C29H32FN5O5/c1-16(2)12-22(33-29(39)31-20-9-7-8-19(30)14-20)26(36)32-23(27-34-25(28(37)38)17(3)40-27)13-18-15-35(4)24-11-6-5-10-21(18)24/h5-11,14-16,22-23H,12-13H2,1-4H3,(H,32,36)(H,37,38)(H2,31,33,39)/t22-,23+/m0/s1
PubChem CID44386535
ChEMBLCHEMBL368853
IUPHARN/A
BindingDB50050016
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5066.0 nMPMID8632420ChEMBL
IC5066.0 nMPMID8632420BindingDB

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