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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

NameCHEMBL350875
Molecular formulaC32H30N2O5
IUPAC namemethyl 5-(4-aminophenoxy)-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
Molecular weight522.601
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
Synonyms(RS)-5-(4-Aminophenoxy)-2-(diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-3-isoquinolinecarboxylic acid, methyl ester
BDBM50282403
FTKUXUVNESZDSL-UHFFFAOYSA-N
5-(4-Amino-phenoxy)-2-diphenylacetyl-6-methoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid methyl ester
Inchi KeyFTKUXUVNESZDSL-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H30N2O5/c1-37-28-18-13-23-20-34(31(35)29(21-9-5-3-6-10-21)22-11-7-4-8-12-22)27(32(36)38-2)19-26(23)30(28)39-25-16-14-24(33)15-17-25/h3-18,27,29H,19-20,33H2,1-2H3
PubChem CID15230316
ChEMBLCHEMBL350875
IUPHARN/A
BindingDB50282403
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50730.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:57BindingDB,ChEMBL

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