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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

NameCHEMBL433895
Molecular formulaC26H25N7
IUPAC name2-ethyl-5,7-dimethyl-3-[[9-(2H-tetrazol-5-ylmethyl)-9H-fluoren-2-yl]methyl]imidazo[4,5-b]pyridine
Molecular weight435.535
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
Synonyms2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
BDBM50049200
Inchi KeyDYYWUYUUDYPWON-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N7/c1-4-24-28-25-15(2)11-16(3)27-26(25)33(24)14-17-9-10-20-18-7-5-6-8-19(18)22(21(20)12-17)13-23-29-31-32-30-23/h5-12,22H,4,13-14H2,1-3H3,(H,29,30,31,32)
PubChem CID44373246
ChEMBLCHEMBL433895
IUPHARN/A
BindingDB50049200
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5011.0 nMPMID8576904, PMID21071232BindingDB,ChEMBL

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