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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

NameCHEMBL299391
Molecular formulaC32H32N8O
IUPAC name6-(3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight544.663
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50282885
L010499
2-Butyl-6-(3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl)-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
SCHEMBL9331724
Inchi KeyBPYRQFVJPKMNBY-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H32N8O/c1-2-3-10-30-33-28-16-15-23(29-19-24-7-6-17-40(24)36-29)18-27(28)32(41)39(30)20-21-11-13-22(14-12-21)25-8-4-5-9-26(25)31-34-37-38-35-31/h4-5,8-9,11-16,18,24H,2-3,6-7,10,17,19-20H2,1H3,(H,34,35,37,38)
PubChem CID9850385
ChEMBLCHEMBL299391
IUPHARN/A
BindingDB50282885
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
IC50102.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:15:1819BindingDB,ChEMBL

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