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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

NameCHEMBL44605
Molecular formulaC35H37N7O4
IUPAC nameethyl (2S)-2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate
Molecular weight619.726
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.0
Synonyms(S)-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-3-carboxylic acid ethyl ester
BDBM50282814
Inchi KeyFYIRUXBRHOVWLN-GFYZXZBBSA-N
Inchi IDInChI=1S/C35H37N7O4/c1-3-5-12-30-36-28-18-17-24(32-31(35(44)45-4-2)29-11-8-19-42(29)46-32)20-27(28)34(43)41(30)21-22-13-15-23(16-14-22)25-9-6-7-10-26(25)33-37-39-40-38-33/h6-7,9-10,13-18,20,29,31-32H,3-5,8,11-12,19,21H2,1-2H3,(H,37,38,39,40)/t29?,31?,32-/m1/s1
PubChem CID44291956
ChEMBLCHEMBL44605
IUPHARN/A
BindingDB50282814
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5069.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:14:1703BindingDB,ChEMBL

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