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GPCR

NameType-2 angiotensin II receptor
SpeciesHomo sapiens (Human)
GeneAGTR2
SynonymAT2
MRX88
Agtr2
angiotensin II receptor
angiotensin II receptor, type 2
[ Show all ]
DiseasePostherpetic neuralgia
Hypertension
Length363
Amino acid sequenceMKGNSTLATTSKNITSGLHFGLVNISGNNESTLNCSQKPSDKHLDAIPILYYIIFVIGFLVNIVVVTLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYIVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALAWMGVINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRESMSCRKSSSLREMETFVS
UniProtP50052
Protein Data Bank5xjm, 5unh, 5ung, 5unf
GPCR-HGmod modelP50052
3D structure modelThis structure is from PDB ID 5xjm.
BioLiPBL0419199, BL0375199,BL0375200, BL0375198, BL0375196,BL0375197
Therapeutic Target DatabaseT09909
ChEMBLCHEMBL4607
IUPHAR35
DrugBankBE0003426

Ligand

NameCHEMBL156587
Molecular formulaC31H28N2O5
IUPAC name5-(4-aminophenoxy)-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Molecular weight508.574
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50282400
SCHEMBL3513716
5-(4-Amino-phenoxy)-2-diphenylacetyl-6-methoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
Inchi KeyBUDFRUAPLRUWRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H28N2O5/c1-37-27-17-12-22-19-33(30(34)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21)26(31(35)36)18-25(22)29(27)38-24-15-13-23(32)14-16-24/h2-17,26,28H,18-19,32H2,1H3,(H,35,36)
PubChem CID22402433
ChEMBLCHEMBL156587
IUPHARN/A
BindingDB50282400
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5040.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:57BindingDB,ChEMBL

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