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GPCR

NameType-1 angiotensin II receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProtP34976
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3948
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL86853
Molecular formulaC25H20N8O3
IUPAC name5-cyclopropyl-2-(2-nitrophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight480.488
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
Synonyms2-(2-Nitrophenyl)-4-[[2'-(2H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-5-cyclopropyl-2H-1,2,4-triazol-3(4H)-one
BDBM50044527
SCHEMBL9141818
5-Cyclopropyl-2-(2-nitro-phenyl)-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
Inchi KeyBPWHGUFERPAUEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20N8O3/c34-25-31(24(18-13-14-18)28-32(25)21-7-3-4-8-22(21)33(35)36)15-16-9-11-17(12-10-16)19-5-1-2-6-20(19)23-26-29-30-27-23/h1-12,18H,13-15H2,(H,26,27,29,30)
PubChem CID14956770
ChEMBLCHEMBL86853
IUPHARN/A
BindingDB50044527
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5095.0 nMPMID8355255BindingDB,ChEMBL

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