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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

NameCHEMBL292316
Molecular formulaC23H24N6O2
IUPAC name6-butyl-3-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
Molecular weight416.485
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50285167
L010632
6-Butyl-3-methyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-pyrimidine-2,4-dione
Inchi KeyGSNMARCHVLZNCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24N6O2/c1-3-4-7-18-14-21(30)28(2)23(31)29(18)15-16-10-12-17(13-11-16)19-8-5-6-9-20(19)22-24-26-27-25-22/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,24,25,26,27)
PubChem CID44211708
ChEMBLCHEMBL292316
IUPHARN/A
BindingDB50285167
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5044.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:18:2071BindingDB,ChEMBL

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