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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

NameMLS000761483
Molecular formulaC20H19ClN2O
IUPAC name7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
Molecular weight338.835
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsSMR000371583
7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
AC1NPY8G
Oprea1_225050
Oprea1_813706
[ Show all ]
Inchi KeyAATWULBPEFPAGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19ClN2O/c21-17-8-2-1-7-15(17)19(23-12-3-4-13-23)16-10-9-14-6-5-11-22-18(14)20(16)24/h1-2,5-11,19,24H,3-4,12-13H2
PubChem CID5187118
ChEMBLCHEMBL1585527
IUPHARN/A
BindingDB64703
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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