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GPCR

NameType-2 angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr2
Synonymangiotensin II receptor, type 2
MRX88
Agtr2
AT2R
AT2-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length363
Amino acid sequenceMKDNFSFAATSRNITSSLPFDNLNATGTNESAFNCSHKPADKHLEAIPVLYYMIFVIGFAVNIVVVSLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYVVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALTWMGIINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRETMSCRKSSSLREMDTFVS
UniProtP35351
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL257
IUPHAR35
DrugBankN/A

Ligand

NameCHEMBL98453
Molecular formulaC31H25Br2F3N4O4S2
IUPAC name2,5-dibromo-N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylthiophene-3-carboxamide
Molecular weight798.488
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP8.6
SynonymsBDBM50039852
4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2,5-dibromo-thiophene-3-carbonyl)-amide
Inchi KeyCQHRAIJPPWOOSU-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H25Br2F3N4O4S2/c1-2-3-12-27-37-40(24-10-6-5-9-23(24)31(34,35)36)30(42)39(27)18-19-13-15-20(16-14-19)21-8-4-7-11-25(21)46(43,44)38-29(41)22-17-26(32)45-28(22)33/h4-11,13-17H,2-3,12,18H2,1H3,(H,38,41)
PubChem CID10350378
ChEMBLCHEMBL98453
IUPHARN/A
BindingDB50039852
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
IC5084.0 nMPMID8064808BindingDB,ChEMBL

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