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GPCR

NameType-1 angiotensin II receptor
SpeciesBos taurus (Bovine)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE
UniProtP25104
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3374
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL295279
Molecular formulaC34H31N7O2S
IUPAC name2-butyl-6-[3-(4-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight601.729
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50282795
2-Butyl-6-[3-(4-methyl-thiophen-2-yl)-4,5-dihydro-isoxazol-5-yl]-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
Inchi KeyGNQYKXVQRXYFJK-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H31N7O2S/c1-3-4-9-32-35-28-15-14-24(30-18-29(38-43-30)31-16-21(2)20-44-31)17-27(28)34(42)41(32)19-22-10-12-23(13-11-22)25-7-5-6-8-26(25)33-36-39-40-37-33/h5-8,10-17,20,30H,3-4,9,18-19H2,1-2H3,(H,36,37,39,40)
PubChem CID44292040
ChEMBLCHEMBL295279
IUPHARN/A
BindingDB50282795
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
IC50410.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:14:1703BindingDB,ChEMBL

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