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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

NameCHEMBL155554
Molecular formulaC29H30N8O3S
IUPAC nameN-[4-[[3-butyl-5-[(4-methoxyphenyl)methylsulfinyl]-1,2,4-triazol-4-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzamide
Molecular weight570.672
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL9402504
BDBM50047840
N-{4-[3-Butyl-5-(4-methoxy-phenylmethanesulfinyl)-[1,2,4]triazol-4-ylmethyl]-phenyl}-2-(1H-tetrazol-5-yl)-benzamide
Inchi KeyBQDLWBDJSHZVCH-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H30N8O3S/c1-3-4-9-26-31-34-29(41(39)19-21-12-16-23(40-2)17-13-21)37(26)18-20-10-14-22(15-11-20)30-28(38)25-8-6-5-7-24(25)27-32-35-36-33-27/h5-8,10-17H,3-4,9,18-19H2,1-2H3,(H,30,38)(H,32,33,35,36)
PubChem CID10370801
ChEMBLCHEMBL155554
IUPHARN/A
BindingDB50047840
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5028.0 nMPMID8496939BindingDB,ChEMBL
IC5050.0 nMMed Chem Res, (2012) 21:9:2307ChEMBL

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