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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

NameCHEMBL15517
Molecular formulaC26H26ClN3O3
IUPAC name2-[2-chloro-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-(2-methylphenyl)acetic acid
Molecular weight463.962
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.1
SynonymsSCHEMBL9127009
[2-Chloro-4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenoxy]-o-tolyl-acetic acid
BDBM50284453
L005510
Inchi KeyAPSWMQVSEDQAFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26ClN3O3/c1-5-22-29-23-16(3)12-17(4)28-25(23)30(22)14-18-10-11-21(20(27)13-18)33-24(26(31)32)19-9-7-6-8-15(19)2/h6-13,24H,5,14H2,1-4H3,(H,31,32)
PubChem CID15229605
ChEMBLCHEMBL15517
IUPHARN/A
BindingDB50284453
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.4 nM, Bioorg. Med. Chem. Lett., (1995) 5:11:1151BindingDB,ChEMBL

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