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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

NameBDBM50282882
Molecular formulaC32H29N9O3
IUPAC name(3aS)-3-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]-5-methyl-3,3a-dihydro-2H-pyrrolo[3,4-c]pyrazole-4,6-dione
Molecular weight587.644
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.7
Synonyms(3aR,6aR)-3-{2-Butyl-4-oxo-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,4-dihydro-quinazolin-6-yl}-5-methyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
Inchi KeyBQMFFSZEKDFHTL-QBHOUYDASA-N
Inchi IDInChI=1S/C32H29N9O3/c1-3-4-9-25-33-24-15-14-20(27-26-28(35-34-27)32(44)40(2)31(26)43)16-23(24)30(42)41(25)17-18-10-12-19(13-11-18)21-7-5-6-8-22(21)29-36-38-39-37-29/h5-8,10-16,26-27,34H,3-4,9,17H2,1-2H3,(H,36,37,38,39)/t26-,27?/m0/s1
PubChem CID91934760
ChEMBLN/A
IUPHARN/A
BindingDB50282882
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50110.0 nMN/ABindingDB

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