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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

NameCHEMBL87129
Molecular formulaC28H29N7O
IUPAC name5-butyl-2-[(3-methylphenyl)methyl]-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight479.588
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
Synonyms4-[[2'-(2H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-5-butyl-2-(3-methylbenzyl)-2H-1,2,4-triazol-3(4H)-one
BDBM50044499
SCHEMBL9033364
5-Butyl-2-(3-methyl-benzyl)-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
Inchi KeyAJQSTGRQYVWHEA-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N7O/c1-3-4-12-26-31-35(19-22-9-7-8-20(2)17-22)28(36)34(26)18-21-13-15-23(16-14-21)24-10-5-6-11-25(24)27-29-32-33-30-27/h5-11,13-17H,3-4,12,18-19H2,1-2H3,(H,29,30,32,33)
PubChem CID14956793
ChEMBLCHEMBL87129
IUPHARN/A
BindingDB50044499
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5012.0 nMPMID8355255, Med Chem Res, (2010) 19:4:375BindingDB,ChEMBL
logIC501.079 -Med Chem Res, (2010) 19:4:375ChEMBL

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