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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

NameCHEMBL165572
Molecular formulaC23H20F6N4O2S
IUPAC name1,1,1-trifluoro-N-[2-[4-[[[2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]methyl]phenyl]phenyl]methanesulfonamide
Molecular weight530.489
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP6.0
SynonymsBDBM50281630
C,C,C-Trifluoro-N-{4''-[(2-trifluoromethyl-5,6,7,8-tetrahydro-quinazolin-4-ylamino)-methyl]-biphenyl-2-yl}-methanesulfonamide
Inchi KeyFENHKXVPGQPENW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20F6N4O2S/c24-22(25,26)21-31-18-7-3-2-6-17(18)20(32-21)30-13-14-9-11-15(12-10-14)16-5-1-4-8-19(16)33-36(34,35)23(27,28)29/h1,4-5,8-12,33H,2-3,6-7,13H2,(H,30,31,32)
PubChem CID44377942
ChEMBLCHEMBL165572
IUPHARN/A
BindingDB50281630
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50100.0 nMPMID21413808BindingDB,ChEMBL

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