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GPCR

NameType-1 angiotensin II receptor
SpeciesCavia porcellus (Guinea pig)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADICFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCVIIWLMAGLASLPAVIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFMFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSTLSTKMSTLSYRPSDNVSSSAKKPVQCFEVE
UniProtQ9WV26
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1671613
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL22387
Molecular formulaC22H21N5O
IUPAC name2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
Molecular weight371.444
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
Synonyms2,3,6-Trimethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-pyridine
BDBM50047116
2,3,6-Trimethyl-4-[[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]oxy]pyridine
Inchi KeyBOLGXKCIKRIVNY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21N5O/c1-14-12-21(15(2)16(3)23-14)28-13-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-24-26-27-25-22/h4-12H,13H2,1-3H3,(H,24,25,26,27)
PubChem CID14950501
ChEMBLCHEMBL22387
IUPHARN/A
BindingDB50047116
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50130.0 nMPMID8487261BindingDB,ChEMBL

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