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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

NameCHEMBL301547
Molecular formulaC36H39N7O3
IUPAC name2-butyl-6-[(2S,4S,6R)-9,9-dimethyl-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-4-yl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight617.754
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50282888
2-Butyl-6-((2S,3aS,8aR)-6,6-dimethyl-octahydro-furo[3,2-d]pyrrolo[1,2-b]isoxazol-2-yl)-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
Inchi KeyFTQMHMPDLSMCCB-XJHBHMKYSA-N
Inchi IDInChI=1S/C36H39N7O3/c1-4-5-10-32-37-29-16-15-24(31-20-28-30-17-18-36(2,3)43(30)46-35(28)45-31)19-27(29)34(44)42(32)21-22-11-13-23(14-12-22)25-8-6-7-9-26(25)33-38-40-41-39-33/h6-9,11-16,19,28,30-31,35H,4-5,10,17-18,20-21H2,1-3H3,(H,38,39,40,41)/t28-,30?,31-,35+/m0/s1
PubChem CID44297201
ChEMBLCHEMBL301547
IUPHARN/A
BindingDB50282888
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
IC5032.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:15:1819BindingDB,ChEMBL

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