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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

NameCHEMBL471505
Molecular formulaC29H31N3O3
IUPAC name2-[4-[[5-(butanoylamino)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
Molecular weight469.585
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50412355
DVSZUBSVCTUULM-UHFFFAOYSA-N
4'-[(2-n-Butyl-5-butanoylamino-benzimidazol-1-yl)-methyl]biphenyl-2-carboxylic acid
SCHEMBL8393762
Inchi KeyDVSZUBSVCTUULM-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31N3O3/c1-3-5-11-27-31-25-18-22(30-28(33)8-4-2)16-17-26(25)32(27)19-20-12-14-21(15-13-20)23-9-6-7-10-24(23)29(34)35/h6-7,9-10,12-18H,3-5,8,11,19H2,1-2H3,(H,30,33)(H,34,35)
PubChem CID15069306
ChEMBLCHEMBL471505
IUPHARN/A
BindingDB50412355
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd79.43 nMPMID18158200BindingDB,ChEMBL
pA104.4 -PMID18158200ChEMBL

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