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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

NameCHEMBL45805
Molecular formulaC33H33N7O4
IUPAC name(2S,3aR)-2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2]oxazole-2-carboxylic acid
Molecular weight591.672
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.5
Synonyms(2S,3aR)-2-{2-Butyl-4-oxo-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,4-dihydro-quinazolin-6-yl}-hexahydro-pyrrolo[1,2-b]isoxazole-2-carboxylic acid
BDBM50282807
Inchi KeyGXXPCSPJFNSFDW-IANOAQMISA-N
Inchi IDInChI=1S/C33H33N7O4/c1-2-3-10-29-34-28-16-15-23(33(32(42)43)19-24-7-6-17-40(24)44-33)18-27(28)31(41)39(29)20-21-11-13-22(14-12-21)25-8-4-5-9-26(25)30-35-37-38-36-30/h4-5,8-9,11-16,18,24H,2-3,6-7,10,17,19-20H2,1H3,(H,42,43)(H,35,36,37,38)/t24-,33+/m1/s1
PubChem CID18666499
ChEMBLCHEMBL45805
IUPHARN/A
BindingDB50282807
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5046.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:14:1703BindingDB,ChEMBL

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