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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

NameCHEMBL134567
Molecular formulaC27H26Cl2N4O2
IUPAC name4,5-dichloro-2-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]methyl]benzoic acid
Molecular weight509.431
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50043432
4,5-Dichloro-2-[5-(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-4-ylmethyl)-2,3-dihydro-indole-1-carbonyl]-benzoic acid
Inchi KeyARXVLQLBRUNRKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26Cl2N4O2/c1-4-24-31-25-15(2)9-16(3)30-26(25)33(24)13-17-5-6-23-18(10-17)7-8-32(23)14-19-11-21(28)22(29)12-20(19)27(34)35/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H,34,35)
PubChem CID44355628
ChEMBLCHEMBL134567
IUPHARN/A
BindingDB50043432
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50170.0 nMPMID8277505BindingDB,ChEMBL

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