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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

NameCHEMBL76525
Molecular formulaC26H32N4O5S2
IUPAC name2-butyl-5-methylsulfanyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Molecular weight544.685
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP5.1
Synonyms5-carboxyl imidazolyl biphenyl sulfonylurea derivative
2-butyl-1-[[2''-[[[(propylamino)carbonyl]amino]sulfonyl]-(1,1''-biphenyl)-4yl]methyl]-4-(methylthio)-1H-imidazole-5-carboxylic acid
2-Butyl-3-(N''-propylureidylsulfonyl-biphenyl-4-ylmethyl)-5-methylsulfanyl-3H-imidazole-4-carboxylic acid(HR720)
BDBM50031537
1-[[2'-(3-Propylureidosulfonyl)biphenyl-4-yl]methyl]-2-butyl-4-(methylthio)-1H-imidazole-5-carboxylic acid
[ Show all ]
Inchi KeyDKCCTYVLJMSFOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N4O5S2/c1-4-6-11-22-28-24(36-3)23(25(31)32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)29-26(33)27-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,31,32)(H2,27,29,33)
PubChem CID9809280
ChEMBLCHEMBL76525
IUPHARN/A
BindingDB50031537
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
IC50920.0 nMPMID8576904BindingDB,ChEMBL

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