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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

NameCHEMBL2237591
Molecular formulaC28H27ClN8OS
IUPAC nameN-[4-[[3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzamide
Molecular weight559.089
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.8
SynonymsN/A
Inchi KeyBPPARIZKVOGIKF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27ClN8OS/c1-2-3-12-25-31-34-28(39-18-20-8-4-7-11-24(20)29)37(25)17-19-13-15-21(16-14-19)30-27(38)23-10-6-5-9-22(23)26-32-35-36-33-26/h4-11,13-16H,2-3,12,17-18H2,1H3,(H,30,38)(H,32,33,35,36)
PubChem CID76322689
ChEMBLCHEMBL2237591
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50110.0 nMMed Chem Res, (2012) 21:9:2307ChEMBL

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