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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

NameCHEMBL2260192
Molecular formulaC33H28N4O4
IUPAC namedimethyl 4-[4-[[2-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzene-1,3-dicarboxylate
Molecular weight544.611
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.9
SynonymsN/A
Inchi KeyJMQAFQQADGBTEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H28N4O4/c1-20-34-28-16-14-23(31-35-27-7-5-6-8-29(27)36(31)2)18-30(28)37(20)19-21-9-11-22(12-10-21)25-15-13-24(32(38)40-3)17-26(25)33(39)41-4/h5-18H,19H2,1-4H3
PubChem CID76319244
ChEMBLCHEMBL2260192
IUPHARN/A
BindingDBN/A
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
Inhibition40.0 %Med Chem Res, (2009) 18:8:611ChEMBL
Ki<10000.0 nMMed Chem Res, (2009) 18:8:611ChEMBL

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