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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

NameCHEMBL291125
Molecular formulaC36H40N4O6S3
IUPAC namebutyl N-[5-(2-methylpropyl)-3-[4-[[4-oxo-2-propyl-6-(thiophene-2-carbonylamino)quinazolin-3-yl]methyl]phenyl]thiophen-2-yl]sulfonylcarbamate
Molecular weight720.918
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP7.7
SynonymsBDBM50141057
N-Butyloxycarbonyl-5-isobutyl-3-(4-{6-[(thiophene-2-carbonyl)-amino]-4-oxo-2-propyl-4H-quinazolin-3-ylmethyl}phenyl)-thiophene-2-sulfonamide
Inchi KeyFMLPHTMNHWCUHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H40N4O6S3/c1-5-7-17-46-36(43)39-49(44,45)35-28(21-27(48-35)19-23(3)4)25-13-11-24(12-14-25)22-40-32(9-6-2)38-30-16-15-26(20-29(30)34(40)42)37-33(41)31-10-8-18-47-31/h8,10-16,18,20-21,23H,5-7,9,17,19,22H2,1-4H3,(H,37,41)(H,39,43)
PubChem CID11411528
ChEMBLCHEMBL291125
IUPHARN/A
BindingDB50141057
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
Ki<10000.0 nMPMID14998339BindingDB,ChEMBL

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