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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

NameCHEMBL297202
Molecular formulaC29H31ClN4O3
IUPAC name2-[2-butyl-5-chloro-3-[[4-[[(2S)-3-phenyl-2-pyrrol-1-ylpropanoyl]amino]phenyl]methyl]imidazol-4-yl]acetic acid
Molecular weight519.042
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50047926
{2-Butyl-5-chloro-3-[4-(3-phenyl-2-pyrrol-1-yl-propionylamino)-benzyl]-3H-imidazol-4-yl}-acetic acid
1-[4-[[(2S)-2-(1H-Pyrrol-1-yl)-3-phenyl-1-oxopropyl]amino]benzyl]-2-butyl-4-chloro-1H-imidazole-5-acetic acid
Inchi KeyGPDPEDZYDMMVIC-VWLOTQADSA-N
Inchi IDInChI=1S/C29H31ClN4O3/c1-2-3-11-26-32-28(30)24(19-27(35)36)34(26)20-22-12-14-23(15-13-22)31-29(37)25(33-16-7-8-17-33)18-21-9-5-4-6-10-21/h4-10,12-17,25H,2-3,11,18-20H2,1H3,(H,31,37)(H,35,36)/t25-/m0/s1
PubChem CID44293962
ChEMBLCHEMBL297202
IUPHARN/A
BindingDB50047926
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
IC50210.0 nMPMID8510101BindingDB,ChEMBL

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