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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

NameCID 44270771
Molecular formulaC108H161N25O32S5
IUPAC name(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S,3R)-1-[[(2R)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular weight2481.92
Hydrogen bond acceptor40
Hydrogen bond donor36
XlogP-5.5
SynonymsN/A
Inchi KeyAXFBWSTWRHBSSW-NJJDBYPSSA-N
Inchi IDInChI=1S/C108H161N25O32S5/c1-11-20-65(89(145)125-76(108(164)165)39-59-43-112-64-24-17-16-23-62(59)64)117-107(163)87(56(9)12-2)133-99(155)75(42-85(142)143)123-94(150)70(36-54(5)6)118-97(153)73(40-60-44-111-52-113-60)121-103(159)80(49-167)130-96(152)71(37-57-21-14-13-15-22-57)120-95(151)72(38-58-26-28-61(137)29-27-58)124-106(162)86(55(7)8)132-105(161)82(51-169)129-91(147)67(30-31-83(138)139)115-90(146)66(25-18-19-33-109)114-98(154)74(41-84(140)141)122-92(148)68(32-34-170-10)116-93(149)69(35-53(3)4)119-100(156)78(46-135)127-101(157)79(47-136)128-104(160)81(50-168)131-102(158)77(45-134)126-88(144)63(110)48-166/h13-17,21-24,26-29,43-44,52-56,63,65-82,86-87,112,134-137,166-169H,11-12,18-20,25,30-42,45-51,109-110H2,1-10H3,(H,111,113)(H,114,154)(H,115,146)(H,116,149)(H,117,163)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,145)(H,126,144)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,138,139)(H,140,141)(H,142,143)(H,164,165)/t56-,63+,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,86+,87+/m1/s1
PubChem CID44270771
ChEMBLCHEMBL382683
IUPHARN/A
BindingDB50284289
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC507600000.0 nMN/ABindingDB
Log 1/IC507.6 mMBioorg. Med. Chem. Lett., (1994) 4:9:1157ChEMBL

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