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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

NameCHEMBL3105389
Molecular formulaC19H23F3N4O2
IUPAC name3-(imidazol-1-ylmethyl)-N-[(2S,3S)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]benzamide
Molecular weight396.414
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsN/A
Inchi KeyFSOGHTCAYYGWQO-BBRMVZONSA-N
Inchi IDInChI=1S/C19H23F3N4O2/c1-3-13(2)16(18(28)24-11-19(20,21)22)25-17(27)15-6-4-5-14(9-15)10-26-8-7-23-12-26/h4-9,12-13,16H,3,10-11H2,1-2H3,(H,24,28)(H,25,27)/t13-,16-/m0/s1
PubChem CID73213097
ChEMBLCHEMBL3105389
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition6.0 %PMID24388688ChEMBL
Inhibition14.0 %PMID24388688ChEMBL

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