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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

NameCHEMBL334300
Molecular formulaC33H38ClN5O6S
IUPAC nametert-butyl N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate
Molecular weight668.206
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.0
SynonymsSCHEMBL9399946
BDBM50030713
N-[4-Chloro-3-[[3-butyl-4,5-dihydro-5-oxo-4-[[2'-[(tert-butoxycarbonyl)sulfamoyl]biphenyl-4-yl]methyl]-1H-1,2,4-triazol]-1-yl]phenyl]propanamide
5-n-Butyl-4-[[2''-[N-(tert-butoxycarbonyl)sulfamoyl]biphenyl-4yl]methyl]-2-[2-chloro-5-(propionylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
N-{3-[3-Butyl-5-oxo-4-(2''-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-4,5-dihydro-[1,2,4]triazol-1-yl]-4-chloro-phenyl}-propionamide
Inchi KeyBRBKSPFRJQPDPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41)
PubChem CID10100951
ChEMBLCHEMBL334300
IUPHARN/A
BindingDB50030713
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
IC505.8 nMPMID7562905BindingDB,ChEMBL

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