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GPCR

NameType-1B angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr1b
SynonymAngiotensin II type-1B receptor
AT1B
AT3
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
UniProtP29089
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL263
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL47985
Molecular formulaC27H32N6O
IUPAC name2-butyl-5-cyclopentyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
Molecular weight456.594
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50282263
2-Butyl-5-cyclopentyl-5-methyl-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,5-dihydro-imidazol-4-one
Inchi KeyANLGKBUSHJIPDY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N6O/c1-3-4-13-24-28-27(2,21-9-5-6-10-21)26(34)33(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25-29-31-32-30-25/h7-8,11-12,14-17,21H,3-6,9-10,13,18H2,1-2H3,(H,29,30,31,32)
PubChem CID44291782
ChEMBLCHEMBL47985
IUPHARN/A
BindingDB50282263
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507.6 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:163BindingDB,ChEMBL

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