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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

NameCHEMBL297714
Molecular formulaC34H36N6O2
IUPAC name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl)-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight560.702
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.9
SynonymsBDBM50282903
L011405
2-Butyl-6-(octahydro-cyclopenta[b]pyran-2-yl)-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
SCHEMBL9424574
Inchi KeyFMWJXVVDCILAHE-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H36N6O2/c1-2-3-11-32-35-29-18-16-25(31-19-17-24-7-6-10-30(24)42-31)20-28(29)34(41)40(32)21-22-12-14-23(15-13-22)26-8-4-5-9-27(26)33-36-38-39-37-33/h4-5,8-9,12-16,18,20,24,30-31H,2-3,6-7,10-11,17,19,21H2,1H3,(H,36,37,38,39)
PubChem CID44212049
ChEMBLCHEMBL297714
IUPHARN/A
BindingDB50282903
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
IC50105.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:15:1819BindingDB,ChEMBL

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