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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

NameCHEMBL145564
Molecular formulaC27H31ClN6O2
IUPAC nameethyl 2-butyl-6-chloro-4,4-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-5-carboxylate
Molecular weight507.035
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
Synonyms2-Butyl-6-chloro-1,4-dihydro-4,4-dimethyl-1-[4-[2-(1H-tetrazol-5-yl)phenyl]benzyl]pyrimidine-5-carboxylic acid ethyl ester
BDBM50004155
2-Butyl-6-chloro-4,4-dimethyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester
Inchi KeyDGKMIANMJJJSJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31ClN6O2/c1-5-7-12-22-29-27(3,4)23(26(35)36-6-2)24(28)34(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25-30-32-33-31-25/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,30,31,32,33)
PubChem CID10006413
ChEMBLCHEMBL145564
IUPHARN/A
BindingDB50004155
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.1 nMPMID1469703BindingDB,ChEMBL

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