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GPCR

NameType-1A angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr1
SynonymAngiotensin II type-1A receptor
AT1A
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE
UniProtP25095
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL329
IUPHAR34
DrugBankN/A

Ligand

NameCHEMBL131365
Molecular formulaC27H27N3O3
IUPAC name2-[4-[(5-acetamido-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
Molecular weight441.531
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.1
Synonyms4'-[[2-Butyl-5-(acetylamino)-1H-benzimidazol-1-yl]methyl]-1,1'-biphenyl-2-carboxylic acid
4''-(5-Acetylamino-2-butyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
BDBM50043273
Inchi KeyHYVAXSWWMCGPNH-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27N3O3/c1-3-4-9-26-29-24-16-21(28-18(2)31)14-15-25(24)30(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27(32)33/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,28,31)(H,32,33)
PubChem CID10094851
ChEMBLCHEMBL131365
IUPHARN/A
BindingDB50043273
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd10.0 nMPMID18158200BindingDB,ChEMBL
pA105.9 -PMID18158200ChEMBL

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