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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

NameMLS000768883
Molecular formulaC16H13BrN2O7
IUPAC name[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
Molecular weight425.191
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
Synonyms2-{3-nitro-4-methylphenyl}-2-oxoethyl [(5-bromo-2-furoyl)amino]acetate
CHEMBL1550499
ZINC2078501
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
AC1LWTZ8
[ Show all ]
Inchi KeyCXUDFPOCGAJDDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H13BrN2O7/c1-9-2-3-10(6-11(9)19(23)24)12(20)8-25-15(21)7-18-16(22)13-4-5-14(17)26-13/h2-6H,7-8H2,1H3,(H,18,22)
PubChem CID1738511
ChEMBLCHEMBL1550499
IUPHARN/A
BindingDB67294
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<40000.0 nMN/ABindingDB

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