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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

NameCHEMBL262947
Molecular formulaC55H65N7O11
IUPAC name(3S)-3-[[(2S)-2-[[(2R)-2-acetamido-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1000.16
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP6.3
SynonymsN/A
Inchi KeyFLFQIOODUBCWTQ-VPPPNRNZSA-N
Inchi IDInChI=1S/C55H65N7O11/c1-6-31(4)48(53(70)61-45(55(72)73)27-36-29-56-41-18-12-11-15-38(36)41)62-52(69)43(26-33-19-23-37(64)24-20-33)58-51(68)44(28-46(65)66)59-50(67)42(25-30(2)3)60-54(71)49(57-32(5)63)47-39-16-9-7-13-34(39)21-22-35-14-8-10-17-40(35)47/h7-20,23-24,29-31,42-45,47-49,56,64H,6,21-22,25-28H2,1-5H3,(H,57,63)(H,58,68)(H,59,67)(H,60,71)(H,61,70)(H,62,69)(H,65,66)(H,72,73)/t31-,42-,43-,44-,45-,48-,49+/m0/s1
PubChem CID44305001
ChEMBLCHEMBL262947
IUPHARN/A
BindingDBN/A
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition9.0 %Bioorg. Med. Chem. Lett., (1995) 5:17:2041ChEMBL

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