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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

NameCHEMBL314982
Molecular formulaC25H24FN5O
IUPAC name2-ethyl-4-[[2-fluoro-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-5,6,7,8-tetrahydroquinoline
Molecular weight429.499
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50283587
L005957
2-Ethyl-4-[3-fluoro-2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-5,6,7,8-tetrahydro-quinoline
Inchi KeyIFOUVXQJTBIQQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24FN5O/c1-2-18-14-24(21-9-5-6-10-23(21)27-18)32-15-17-12-11-16(13-22(17)26)19-7-3-4-8-20(19)25-28-30-31-29-25/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,28,29,30,31)
PubChem CID15171413
ChEMBLCHEMBL314982
IUPHARN/A
BindingDB50283587
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC509.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:21:2615BindingDB,ChEMBL

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