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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

NameCHEMBL297265
Molecular formulaC34H39ClN4O5
IUPAC nameethyl 1-[(2S)-1-[4-[[2-butyl-4-chloro-5-(2-methoxy-2-oxoethyl)imidazol-1-yl]methyl]anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylpyrrole-3-carboxylate
Molecular weight619.159
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.5
Synonyms1-[4-[[(2S)-2-(3-Ethoxycarbonyl-2-methyl-1H-pyrrol-1-yl)-3-phenyl-1-oxopropyl]amino]benzyl]-2-butyl-4-chloro-1H-imidazole-5-acetic acid methyl ester
BDBM50047946
SCHEMBL9589966
1-{1-[4-(2-Butyl-4-chloro-5-methoxycarbonylmethyl-imidazol-1-ylmethyl)-phenylcarbamoyl]-2-phenyl-ethyl}-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
Inchi KeyDLNAUNMVOJVTKL-LJAQVGFWSA-N
Inchi IDInChI=1S/C34H39ClN4O5/c1-5-7-13-30-37-32(35)28(21-31(40)43-4)39(30)22-25-14-16-26(17-15-25)36-33(41)29(20-24-11-9-8-10-12-24)38-19-18-27(23(38)3)34(42)44-6-2/h8-12,14-19,29H,5-7,13,20-22H2,1-4H3,(H,36,41)/t29-/m0/s1
PubChem CID44294052
ChEMBLCHEMBL297265
IUPHARN/A
BindingDB50047946
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
IC501470.0 nMPMID8510101BindingDB,ChEMBL

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