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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

NameCHEMBL2021418
Molecular formulaC24H20Br2ClLi2N7O3
IUPAC namedilithium;2-butyl-5-chloro-3-[[2,3-dibromo-1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]imidazole-4-carboxylate;hydroxide
Molecular weight663.608
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogPNone
SynonymsBDBM50449916
Inchi KeyDISYSSHCDIPHIA-UHFFFAOYSA-L
Inchi IDInChI=1S/C24H20Br2ClN7O2.2Li.H2O/c1-2-3-11-17-28-22(27)20(24(35)36)33(17)12-13-7-6-10-16-18(13)19(25)21(26)34(16)15-9-5-4-8-14(15)23-29-31-32-30-23;;;/h4-10H,2-3,11-12H2,1H3,(H,35,36)(H,29,30,31,32);;;1H2/q;2*+1;/p-2
PubChem CID70685491
ChEMBLCHEMBL2021418
IUPHARN/A
BindingDB50449916
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki840.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:145BindingDB,ChEMBL

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