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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

NameCHEMBL283110
Molecular formulaC24H23N5O
IUPAC name2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
Molecular weight397.482
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50047129
L005954
2-Ethyl-4-[[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
2-Ethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-6,7-dihydro-5H-[1]pyrindine
Inchi KeyBNXAXVJFBCFNDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23N5O/c1-2-18-14-23(21-8-5-9-22(21)25-18)30-15-16-10-12-17(13-11-16)19-6-3-4-7-20(19)24-26-28-29-27-24/h3-4,6-7,10-14H,2,5,8-9,15H2,1H3,(H,26,27,28,29)
PubChem CID15171369
ChEMBLCHEMBL283110
IUPHARN/A
BindingDB50047129
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC508.0 nMPMID8487261BindingDB,ChEMBL

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