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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

NameCHEMBL53803
Molecular formulaC33H35N7O2
IUPAC name2-butyl-6-[(3R)-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2]oxazol-3-yl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight561.69
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.4
Synonyms2-Butyl-6-((R)-2-methyl-hexahydro-cyclopenta[d]isoxazol-3-yl)-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
BDBM50282879
Inchi KeyHFSBXIQXFLGAIT-RKQLGKQKSA-N
Inchi IDInChI=1S/C33H35N7O2/c1-3-4-12-30-34-28-18-17-23(31-26-10-7-11-29(26)42-39(31)2)19-27(28)33(41)40(30)20-21-13-15-22(16-14-21)24-8-5-6-9-25(24)32-35-37-38-36-32/h5-6,8-9,13-19,26,29,31H,3-4,7,10-12,20H2,1-2H3,(H,35,36,37,38)/t26?,29?,31-/m0/s1
PubChem CID44296953
ChEMBLCHEMBL53803
IUPHARN/A
BindingDB50282879
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
IC50154.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:15:1819BindingDB,ChEMBL

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