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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

NameCHEMBL3144487
Molecular formulaC63H93N17O12
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-1-[[(1S)-2-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,5S)-5-acetyl-4-amino-1-(1H-imidazol-5-yl)-7-methyl-3-oxooctan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3-methylbutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-amino-4-oxobutanoic acid
Molecular weight1280.54
Hydrogen bond acceptor18
Hydrogen bond donor15
XlogP-1.5
SynonymsN/A
Inchi KeyAZSXKTYFSLKNEF-KIDIJRSBSA-N
Inchi IDInChI=1S/C63H93N17O12/c1-8-36(6)53(79-61(91)54(39-18-20-42(82)21-19-39)71-31-49(35(4)5)78-57(87)45(16-12-22-70-63(66)67)74-56(86)44(64)28-51(83)84)60(90)77-48(27-41-30-69-33-73-41)62(92)80-23-13-17-50(80)59(89)76-47(25-38-14-10-9-11-15-38)58(88)75-46(26-40-29-68-32-72-40)55(85)52(65)43(37(7)81)24-34(2)3/h9-11,14-15,18-21,29-30,32-36,43-50,52-54,71,82H,8,12-13,16-17,22-28,31,64-65H2,1-7H3,(H,68,72)(H,69,73)(H,74,86)(H,75,88)(H,76,89)(H,77,90)(H,78,87)(H,79,91)(H,83,84)(H4,66,67,70)/t36-,43+,44-,45-,46-,47-,48-,49+,50-,52?,53-,54-/m0/s1
PubChem CID90663955
ChEMBLCHEMBL3144487
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
IC50116.0 nMPMID8515427ChEMBL

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