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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

NameAngiotensin II, ala(8)-
Molecular formulaC44H67N13O12
IUPAC name(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxyethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight970.099
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP-3.3
SynonymsANGIOTENSIN-II
8-Alanine-angiotensin II
DTXSID20171221
18197-01-8
AC1NX8NJ
[ Show all ]
Inchi KeyCUKWUWBLQQDQAC-VEQWQPCFSA-N
Inchi IDInChI=1S/C44H67N13O12/c1-6-23(4)35(41(66)54-31(18-26-20-48-21-50-26)42(67)57-16-8-10-32(57)39(64)51-24(5)43(68)69)56-38(63)30(17-25-11-13-27(58)14-12-25)53-40(65)34(22(2)3)55-37(62)29(9-7-15-49-44(46)47)52-36(61)28(45)19-33(59)60/h11-14,20-24,28-32,34-35,58H,6-10,15-19,45H2,1-5H3,(H,48,50)(H,51,64)(H,52,61)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,59,60)(H,68,69)(H4,46,47,49)/t23-,24-,28-,29-,30-,31-,32-,34-,35-/m0/s1
PubChem CID5748345
ChEMBLCHEMBL2392353
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC500.21 nMPMID23466604ChEMBL
Ki0.11 nMPMID23466604ChEMBL

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