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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

NameCHEMBL51078
Molecular formulaC29H35N5O3
IUPAC nameethyl (2E)-2-[4-methyl-6-oxo-4-pentyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]piperidin-2-ylidene]acetate
Molecular weight501.631
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50280326
[4-Methyl-6-oxo-4-pentyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-piperidin-(2E)-ylidene]-acetic acid ethyl ester
Inchi KeyGJHMKSCEQXDVEW-HAVVHWLPSA-N
Inchi IDInChI=1S/C29H35N5O3/c1-4-6-9-16-29(3)18-23(17-27(36)37-5-2)34(26(35)19-29)20-21-12-14-22(15-13-21)24-10-7-8-11-25(24)28-30-32-33-31-28/h7-8,10-15,17H,4-6,9,16,18-20H2,1-3H3,(H,30,31,32,33)/b23-17+
PubChem CID44294562
ChEMBLCHEMBL51078
IUPHARN/A
BindingDB50280326
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
IC50680.0 nM, Bioorg. Med. Chem. Lett., (1992) 2:12:1775BindingDB,ChEMBL

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