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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

NameCHEMBL128920
Molecular formulaC23H21N7O2
IUPAC name2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-b]pyrazole-7-carboxylic acid
Molecular weight427.468
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50282379
L007776
2-Propyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-imidazo[1,2-b]pyrazole-7-carboxylic acid
SCHEMBL7009528
Inchi KeyFKSQNLMGHVITGQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21N7O2/c1-2-5-17-14-30-22(20(12-24-30)23(31)32)29(17)13-15-8-10-16(11-9-15)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-4,6-12,14H,2,5,13H2,1H3,(H,31,32)(H,25,26,27,28)
PubChem CID44210646
ChEMBLCHEMBL128920
IUPHARN/A
BindingDB50282379
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5048.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:35BindingDB,ChEMBL

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