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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

NameCHEMBL120716
Molecular formulaC24H26N6O2
IUPAC nameethyl 5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrazole-3-carboxylate
Molecular weight430.512
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50042545
L006227
5-Butyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2H-pyrazole-3-carboxylic acid ethyl ester
SCHEMBL9367033
Inchi KeyAXJIOTBRMMSZEY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N6O2/c1-3-5-10-21-20(22(26-25-21)24(31)32-4-2)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)23-27-29-30-28-23/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,25,26)(H,27,28,29,30)
PubChem CID14971687
ChEMBLCHEMBL120716
IUPHARN/A
BindingDB50042545
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50130.0 nMPMID8246227BindingDB,ChEMBL

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