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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

NameCHEMBL304947
Molecular formulaC37H47N5O4S
IUPAC nameN-[2-butyl-3-[[4-[2-(3-cyclopentylpropanoylsulfamoyl)phenyl]phenyl]methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]pentanamide
Molecular weight657.874
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.8
SynonymsPentanoic acid {2-butyl-3-[2''-(3-cyclopentyl-propionylsulfamoyl)-biphenyl-4-ylmethyl]-5-methyl-3H-imidazo[4,5-b]pyridin-6-yl}-amide
SCHEMBL9272898
BDBM50282276
Inchi KeyATGXSSDWXHYYIZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H47N5O4S/c1-4-6-16-34-39-32-24-31(40-35(43)17-7-5-2)26(3)38-37(32)42(34)25-28-18-21-29(22-19-28)30-14-10-11-15-33(30)47(45,46)41-36(44)23-20-27-12-8-9-13-27/h10-11,14-15,18-19,21-22,24,27H,4-9,12-13,16-17,20,23,25H2,1-3H3,(H,40,43)(H,41,44)
PubChem CID19754061
ChEMBLCHEMBL304947
IUPHARN/A
BindingDB50282276
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
IC500.1 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:17BindingDB,ChEMBL

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