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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

NameMLS001239313
Molecular formulaC28H29FN4O3S2
IUPAC name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
Molecular weight552.683
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM76144
MCULE-5880038179
ZINC38139124
CHEMBL1616051
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-fluoranyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
[ Show all ]
Inchi KeyCCGFVPDUSVPJFT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29FN4O3S2/c1-31(2)16-6-17-33(28-30-26-24(29)9-5-10-25(26)37-28)27(34)21-11-13-23(14-12-21)38(35,36)32-18-15-20-7-3-4-8-22(20)19-32/h3-5,7-14H,6,15-19H2,1-2H3
PubChem CID24891997
ChEMBLN/A
IUPHARN/A
BindingDB76144
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMN/ABindingDB

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