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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

NameCHEMBL306641
Molecular formulaC32H40N6O4S
IUPAC nameN-[3-[[4-[2-(butylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide
Molecular weight604.77
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.3
SynonymsBDBM50282272
SCHEMBL9485188
Inchi KeyARDOFRQYQZJOFJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H40N6O4S/c1-5-8-19-33-32(40)37-43(41,42)27-14-10-9-13-25(27)24-17-15-23(16-18-24)21-38-28(11-6-2)36-30-22(4)26(20-34-31(30)38)35-29(39)12-7-3/h9-10,13-18,20H,5-8,11-12,19,21H2,1-4H3,(H,35,39)(H2,33,37,40)
PubChem CID19754062
ChEMBLCHEMBL306641
IUPHARN/A
BindingDB50282272
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
IC504.3 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:17BindingDB,ChEMBL

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