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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

NameCHEMBL141447
Molecular formulaC24H19N5S
IUPAC name2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinoline
Molecular weight409.511
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
Synonyms2-Methyl-4-[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methylthio]quinoline
2-Methyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethylsulfanyl]-quinoline
2-Methyl-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethylsulfanyl]-quinoline
BDBM50003406
Inchi KeyNXGPCSIDUWFMTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19N5S/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29)
PubChem CID10252966
ChEMBLCHEMBL141447
IUPHARN/A
BindingDB50003406
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50370.0 nMPMID1433210BindingDB,ChEMBL

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