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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

NameCHEMBL74236
Molecular formulaC39H42FN3O6S2
IUPAC name(2-thiophen-3-ylphenyl)methyl 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate
Molecular weight731.898
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP9.2
SynonymsBDBM50283229
Inchi KeyBBYKQNJKFVTGSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H42FN3O6S2/c1-5-11-36-41-34(6-2)37(38(44)49-24-29-12-7-8-13-31(29)30-19-21-50-25-30)43(36)23-28-17-16-27(22-33(28)40)32-14-9-10-15-35(32)51(46,47)42-39(45)48-20-18-26(3)4/h7-10,12-17,19,21-22,25-26H,5-6,11,18,20,23-24H2,1-4H3,(H,42,45)
PubChem CID44311558
ChEMBLCHEMBL74236
IUPHARN/A
BindingDB50283229
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
IC5020.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:18:2235BindingDB,ChEMBL

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