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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

NameMLS000830367
Molecular formulaC24H28FN3O2
IUPAC namemethyl (6S)-3-benzyl-6-(3-fluorophenyl)-4-methyl-2-(2-methylpropylimino)-1,6-dihydropyrimidine-5-carboxylate
Molecular weight409.505
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
Synonyms(4S)-4-(3-fluorophenyl)-6-methyl-2-(2-methylpropylamino)-1-(phenylmethyl)-4H-pyrimidine-5-carboxylic acid methyl ester
methyl (4S)-4-(3-fluorophenyl)-6-methyl-2-(2-methylpropylamino)-1-(phenylmethyl)-4H-pyrimidine-5-carboxylate
SMR000672067
HMS2218B19
CHEMBL1374155
[ Show all ]
Inchi KeyBXTITEMPRRRNBG-QFIPXVFZSA-N
Inchi IDInChI=1S/C24H28FN3O2/c1-16(2)14-26-24-27-22(19-11-8-12-20(25)13-19)21(23(29)30-4)17(3)28(24)15-18-9-6-5-7-10-18/h5-13,16,22H,14-15H2,1-4H3,(H,26,27)/t22-/m0/s1
PubChem CID135871461
ChEMBLCHEMBL1374155
IUPHARN/A
BindingDB67386
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5018400.0 nMN/ABindingDB

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