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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

NameCHEMBL296719
Molecular formulaC36H33N7O2
IUPAC name2-butyl-6-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight595.707
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.3
SynonymsL010325
2-Butyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-6-(3-p-tolyl-4,5-dihydro-isoxazol-5-yl)-3H-quinazolin-4-one
SCHEMBL9427959
BDBM50282815
Inchi KeyBLPQBVBBFOCDQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H33N7O2/c1-3-4-9-34-37-31-19-18-27(33-21-32(40-45-33)26-14-10-23(2)11-15-26)20-30(31)36(44)43(34)22-24-12-16-25(17-13-24)28-7-5-6-8-29(28)35-38-41-42-39-35/h5-8,10-20,33H,3-4,9,21-22H2,1-2H3,(H,38,39,41,42)
PubChem CID18942289
ChEMBLCHEMBL296719
IUPHARN/A
BindingDB50282815
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
IC5070.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:14:1703BindingDB,ChEMBL

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