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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

NameCHEMBL3819352
Molecular formulaC25H28FN3O3
IUPAC nameN-(cyclohexylmethyl)-5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
Molecular weight437.515
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50183368
SCHEMBL17326627
Inchi KeyAUKIVLCMXATZDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28FN3O3/c1-31-22-9-6-10-23(32-2)24(22)21-15-20(25(30)27-16-17-7-4-3-5-8-17)28-29(21)19-13-11-18(26)12-14-19/h6,9-15,17H,3-5,7-8,16H2,1-2H3,(H,27,30)
PubChem CID118568919
ChEMBLCHEMBL3819352
IUPHARN/A
BindingDB50183368
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50<30000.0 nMPMID27369451BindingDB,ChEMBL

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