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GPCR

NameType-1 angiotensin II receptor
SpeciesBos taurus (Bovine)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE
UniProtP25104
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3374
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL116094
Molecular formulaC23H24N6O3
IUPAC name2-ethyl-5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Molecular weight432.484
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.9
SynonymsSCHEMBL7309878
2-Ethyl-5-(1-hydroxy-1-methyl-ethyl)-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid
BDBM50049118
Inchi KeyBUGMWTSCCDYOHC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24N6O3/c1-4-18-24-20(23(2,3)32)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)21-25-27-28-26-21/h5-12,32H,4,13H2,1-3H3,(H,30,31)(H,25,26,27,28)
PubChem CID10765180
ChEMBLCHEMBL116094
IUPHARN/A
BindingDB50049118
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505.3 nMPMID8568823BindingDB,ChEMBL

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