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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

NameCHEMBL15729
Molecular formulaC28H28ClN3O3
IUPAC name2-[2-chloro-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-6-prop-2-enylphenoxy]-2-phenylacetic acid
Molecular weight490.0
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.9
SynonymsBLNGJVAUJVYIMH-UHFFFAOYSA-N
SCHEMBL9307592
[2-Allyl-6-chloro-4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenoxy]-phenyl-acetic acid
BDBM50284439
3-[4-(1-carboxy-1-phenylmethoxy )-3-chloro-5-(prop -2-ene-1-yl)phenylmethyl]-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]-pyridine
Inchi KeyBLNGJVAUJVYIMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28ClN3O3/c1-5-10-21-14-19(16-32-23(6-2)31-24-17(3)13-18(4)30-27(24)32)15-22(29)25(21)35-26(28(33)34)20-11-8-7-9-12-20/h5,7-9,11-15,26H,1,6,10,16H2,2-4H3,(H,33,34)
PubChem CID18950607
ChEMBLCHEMBL15729
IUPHARN/A
BindingDB50284439
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502.2 nMBioorg. Med. Chem. Lett., (1995) 5:11:1151, BindingDB,ChEMBL

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