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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

NameCHEMBL3818625
Molecular formulaC27H30FN3O5
IUPAC namemethyl (2S)-2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]acetate
Molecular weight495.551
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50183369
SCHEMBL17326630
Inchi KeyCDUCTPJOMINZRB-VWLOTQADSA-N
Inchi IDInChI=1S/C27H30FN3O5/c1-34-22-10-7-11-23(35-2)24(22)21-16-20(30-31(21)19-14-12-18(28)13-15-19)26(32)29-25(27(33)36-3)17-8-5-4-6-9-17/h7,10-17,25H,4-6,8-9H2,1-3H3,(H,29,32)/t25-/m0/s1
PubChem CID118568922
ChEMBLCHEMBL3818625
IUPHARN/A
BindingDB50183369
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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