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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameApelin receptor
SpeciesHomo sapiens (Human)
GeneAPLNR
Synonymmsr/apj
GPCR34
G-protein coupled receptor HG11
G-protein coupled receptor APJ
AGTRL1
[ Show all ]
DiseaseN/A
Length380
Amino acid sequenceMEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
UniProtP35414
Protein Data Bank5vbl
GPCR-HGmod modelP35414
3D structure modelThis structure is from PDB ID 5vbl.
BioLiPBL0380094, BL0380093
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1628481
IUPHAR36
DrugBankN/A

Ligand

NameMLS001196044
Molecular formulaC20H19NO3
IUPAC name2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]quinolin-8-ol
Molecular weight321.376
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
Synonyms2-[(E)-2-(3-ethoxy-2-methoxyphenyl)vinyl]quinolin-8-ol
CHEMBL1491932
AC1NWTTB
MolPort-002-234-289
Cambridge id 7018409
[ Show all ]
Inchi KeyBEWHEVYVOMMARC-ACCUITESSA-N
Inchi IDInChI=1S/C20H19NO3/c1-3-24-18-9-5-7-15(20(18)23-2)11-13-16-12-10-14-6-4-8-17(22)19(14)21-16/h4-13,22H,3H2,1-2H3/b13-11+
PubChem CID5735740
ChEMBLCHEMBL1491932
IUPHARN/A
BindingDB67340
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5033000.0 nMN/ABindingDB

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