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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

NameAC1MK6ZI
Molecular formulaC18H17N3O6S
IUPAC name3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide
Molecular weight403.409
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.2
Synonyms3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide
Inchi KeyCCNCWUDUWLWPSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-10-12(21(24)25)5-6-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)
PubChem CID3152090
ChEMBLN/A
IUPHARN/A
BindingDB50392
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC506700.0 nMN/ABindingDB

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