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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

NameCHEMBL65503
Molecular formulaC30H28N6O4
IUPAC namemethyl 2-[[2,6-dioxo-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]benzoate
Molecular weight536.592
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50285165
2-{2,6-Dioxo-4-propyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,6-dihydro-2H-pyrimidin-1-ylmethyl}-benzoic acid methyl ester
Inchi KeyGPHKXRPREJMHKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H28N6O4/c1-3-8-23-17-27(37)36(19-22-9-4-5-11-25(22)29(38)40-2)30(39)35(23)18-20-13-15-21(16-14-20)24-10-6-7-12-26(24)28-31-33-34-32-28/h4-7,9-17H,3,8,18-19H2,1-2H3,(H,31,32,33,34)
PubChem CID44305267
ChEMBLCHEMBL65503
IUPHARN/A
BindingDB50285165
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5020.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:18:2071BindingDB,ChEMBL

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