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GPCR

NameType-1 angiotensin II receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProtP34976
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3948
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL299151
Molecular formulaC28H33N5O3
IUPAC nameethyl (2E)-2-[4-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]piperidin-2-ylidene]acetate
Molecular weight487.604
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50280319
[4-Butyl-4-methyl-6-oxo-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-piperidin-(2E)-ylidene]-acetic acid ethyl ester
Inchi KeyAOQKRBLMQYAZFA-CJLVFECKSA-N
Inchi IDInChI=1S/C28H33N5O3/c1-4-6-15-28(3)17-22(16-26(35)36-5-2)33(25(34)18-28)19-20-11-13-21(14-12-20)23-9-7-8-10-24(23)27-29-31-32-30-27/h7-14,16H,4-6,15,17-19H2,1-3H3,(H,29,30,31,32)/b22-16+
PubChem CID44295090
ChEMBLCHEMBL299151
IUPHARN/A
BindingDB50280319
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd31.62 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:87BindingDB,ChEMBL

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