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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

NameCHEMBL311253
Molecular formulaC38H41FN4O8S
IUPAC name2-(1,3-dioxoisoindol-2-yl)ethyl 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate
Molecular weight732.824
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP7.1
SynonymsBDBM50283215
Inchi KeyFNOSMWSPVAMRRG-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H41FN4O8S/c1-5-11-33-40-31(6-2)34(37(46)50-21-19-42-35(44)28-13-7-8-14-29(28)36(42)45)43(33)23-26-17-16-25(22-30(26)39)27-12-9-10-15-32(27)52(48,49)41-38(47)51-20-18-24(3)4/h7-10,12-17,22,24H,5-6,11,18-21,23H2,1-4H3,(H,41,47)
PubChem CID44311074
ChEMBLCHEMBL311253
IUPHARN/A
BindingDB50283215
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
IC507.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:18:2235BindingDB,ChEMBL

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