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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

NameCHEMBL241684
Molecular formulaC23H21N7O2
IUPAC namemethyl 2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylate
Molecular weight427.468
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50209821
methyl 3-(4-(2-(1H-tetrazol-5-yl)-1H-pyrrol-1-yl)benzyl)-2-ethyl-3H-benzo[d]imidazole-4-carboxylate
Inchi KeyADNLDCNKXXQYRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21N7O2/c1-3-20-24-18-7-4-6-17(23(31)32-2)21(18)30(20)14-15-9-11-16(12-10-15)29-13-5-8-19(29)22-25-27-28-26-22/h4-13H,3,14H2,1-2H3,(H,25,26,27,28)
PubChem CID44438868
ChEMBLCHEMBL241684
IUPHARN/A
BindingDB50209821
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50140.0 nMPMID17412584BindingDB,ChEMBL

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