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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

NameCHEMBL49954
Molecular formulaC26H27ClN4O3S
IUPAC name2-butyl-5-chloro-3-[[4-[[(2S)-2-pyrrol-1-yl-3-thiophen-2-ylpropanoyl]amino]phenyl]methyl]imidazole-4-carboxylic acid
Molecular weight511.037
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.6
Synonyms2-Butyl-5-chloro-3-[4-(2-pyrrol-1-yl-3-thiophen-2-yl-propionylamino)-benzyl]-3H-imidazole-4-carboxylic acid
1-[4-[[(2S)-2-(1H-Pyrrol-1-yl)-3-(2-thienyl)-1-oxopropyl]amino]benzyl]-2-butyl-4-chloro-1H-imidazole-5-carboxylic acid
BDBM50047956
Inchi KeyFUKJLFAEUAUNJO-NRFANRHFSA-N
Inchi IDInChI=1S/C26H27ClN4O3S/c1-2-3-8-22-29-24(27)23(26(33)34)31(22)17-18-9-11-19(12-10-18)28-25(32)21(30-13-4-5-14-30)16-20-7-6-15-35-20/h4-7,9-15,21H,2-3,8,16-17H2,1H3,(H,28,32)(H,33,34)/t21-/m0/s1
PubChem CID44293911
ChEMBLCHEMBL49954
IUPHARN/A
BindingDB50047956
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
IC50670.0 nMPMID8510101BindingDB
IC50670.0 nMPMID8510101ChEMBL

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