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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

NameCHEMBL219840
Molecular formulaC20H19N3O3
IUPAC name(2S)-2-[[3-(imidazol-1-ylmethyl)benzoyl]amino]-3-phenylpropanoic acid
Molecular weight349.39
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50208096
N-[3-(1H-Imidazole-1-ylmethyl)benzoyl]phenylalanine
(S)-2-(3-((1H-imidazol-1-yl)methyl)benzamido)-3-phenylpropanoic acid
Inchi KeyBYZVRBYPMYLSLK-SFHVURJKSA-N
Inchi IDInChI=1S/C20H19N3O3/c24-19(22-18(20(25)26)12-15-5-2-1-3-6-15)17-8-4-7-16(11-17)13-23-10-9-21-14-23/h1-11,14,18H,12-13H2,(H,22,24)(H,25,26)/t18-/m0/s1
PubChem CID16124929
ChEMBLCHEMBL219840
IUPHARN/A
BindingDB50208096
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki37.5 nMPMID17358051BindingDB,ChEMBL

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