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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

NameCHEMBL309365
Molecular formulaC39H40N8O2
IUPAC name5-[[(2R)-2-benzyl-4-phenylpiperazin-1-yl]methyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Molecular weight652.803
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.7
Synonyms5-((R)-2-Benzyl-4-phenyl-piperazin-1-ylmethyl)-2-propyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid
BDBM50283187
Inchi KeyDNJLUNFRGIXFIU-JGCGQSQUSA-N
Inchi IDInChI=1S/C39H40N8O2/c1-2-11-36-40-35(27-46-23-22-45(31-14-7-4-8-15-31)26-32(46)24-28-12-5-3-6-13-28)37(39(48)49)47(36)25-29-18-20-30(21-19-29)33-16-9-10-17-34(33)38-41-43-44-42-38/h3-10,12-21,32H,2,11,22-27H2,1H3,(H,48,49)(H,41,42,43,44)/t32-/m1/s1
PubChem CID44311450
ChEMBLCHEMBL309365
IUPHARN/A
BindingDB50283187
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501000.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:18:2229BindingDB,ChEMBL

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