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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

NameCHEMBL69475
Molecular formulaC18H18Br2N2O
IUPAC name2,6-dibromo-4-[(2-butylbenzimidazol-1-yl)methyl]phenol
Molecular weight438.163
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.8
Synonyms2,6-Dibromo-4-(2-butyl-benzoimidazol-1-ylmethyl)-phenol
BDBM50282349
Inchi KeyDWLRJPFONCNEGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18Br2N2O/c1-2-3-8-17-21-15-6-4-5-7-16(15)22(17)11-12-9-13(19)18(23)14(20)10-12/h4-7,9-10,23H,2-3,8,11H2,1H3
PubChem CID44309021
ChEMBLCHEMBL69475
IUPHARN/A
BindingDB50282349
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC502500.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:213BindingDB,ChEMBL

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