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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

NameCHEMBL217673
Molecular formulaC25H31N3O4S
IUPAC namebutyl N-[2-[4-(imidazol-1-ylmethyl)phenyl]-4-(2-methylpropyl)phenyl]sulfonylcarbamate
Molecular weight469.6
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.2
SynonymsN-Butyloxycarbonyl-2-(4-imidazol-1-ylmethylphenyl)-4-iso-butylbenzene-sulfonamide
BDBM50199326
IEKPELSFCDOQBA-UHFFFAOYSA-N
N-butyloxycarbonyl-2-(4-imidazol-1-ylmethylphenyl)-4-iso-butylbenzenesulfonamide
N-Butyloxycarbonyl-2-(4-imidazol-1-ylmethylphenyl)-4-iso-butyl-benzenesulfonamide
[ Show all ]
Inchi KeyIEKPELSFCDOQBA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O4S/c1-4-5-14-32-25(29)27-33(30,31)24-11-8-21(15-19(2)3)16-23(24)22-9-6-20(7-10-22)17-28-13-12-26-18-28/h6-13,16,18-19H,4-5,14-15,17H2,1-3H3,(H,27,29)
PubChem CID11994289
ChEMBLCHEMBL217673
IUPHARN/A
BindingDB50199326
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID18599297BindingDB,ChEMBL

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