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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

NameCHEMBL406907
Molecular formulaC50H61N11O12
IUPAC name(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-4-[2-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-9-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1008.1
Hydrogen bond acceptor15
Hydrogen bond donor11
XlogP-0.9
SynonymsBDBM50168423
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S)-4-({[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}methyl)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-9-yl]ca
Inchi KeyFCBNQQYROIUIDI-FRVSISGFSA-N
Inchi IDInChI=1S/C50H61N11O12/c1-27(2)42(59-44(66)28(3)54-45(67)34(51)22-41(64)65)47(69)57-35-12-7-11-31-24-60(48(70)36(56-43(31)35)19-30-14-16-33(62)17-15-30)25-40(63)55-37(21-32-23-52-26-53-32)49(71)61-18-8-13-39(61)46(68)58-38(50(72)73)20-29-9-5-4-6-10-29/h4-7,9-12,14-17,23,26-28,34,36-39,42,56,62H,8,13,18-22,24-25,51H2,1-3H3,(H,52,53)(H,54,67)(H,55,63)(H,57,69)(H,58,68)(H,59,66)(H,64,65)(H,72,73)/t28-,34-,36-,37-,38-,39-,42-/m0/s1
PubChem CID44400615
ChEMBLCHEMBL406907
IUPHARN/A
BindingDB50168423
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
Ki9.3 nMPMID15943474ChEMBL
Ki9.3 nMPMID15943474BindingDB

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