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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

NameCHEMBL309081
Molecular formulaC43H39N7O3
IUPAC name[4-(diphenylcarbamoyl)phenyl]methyl 5-ethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
Molecular weight701.831
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP8.7
Synonyms5-Ethyl-2-propyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid 4-diphenylcarbamoyl-benzyl ester
BDBM50283193
Inchi KeyFKCMDMVCVNAORO-UHFFFAOYSA-N
Inchi IDInChI=1S/C43H39N7O3/c1-3-13-39-44-38(4-2)40(49(39)28-30-20-24-32(25-21-30)36-18-11-12-19-37(36)41-45-47-48-46-41)43(52)53-29-31-22-26-33(27-23-31)42(51)50(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-12,14-27H,3-4,13,28-29H2,1-2H3,(H,45,46,47,48)
PubChem CID44311406
ChEMBLCHEMBL309081
IUPHARN/A
BindingDB50283193
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
IC50200.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:18:2235BindingDB,ChEMBL

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