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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

NameCHEMBL45659
Molecular formulaC33H37ClN4O5
IUPAC name2-[2-butyl-5-chloro-3-[[4-[[(2S)-2-(3-ethoxycarbonyl-2-methylpyrrol-1-yl)-3-phenylpropanoyl]amino]phenyl]methyl]imidazol-4-yl]acetic acid
Molecular weight605.132
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.2
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
BDBM50047950
SCHEMBL9588613
1-{1-[4-(2-Butyl-5-carboxymethyl-4-chloro-imidazol-1-ylmethyl)-phenylcarbamoyl]-2-phenyl-ethyl}-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
Inchi KeyANTFJULGFXKHGK-NDEPHWFRSA-N
Inchi IDInChI=1S/C33H37ClN4O5/c1-4-6-12-29-36-31(34)27(20-30(39)40)38(29)21-24-13-15-25(16-14-24)35-32(41)28(19-23-10-8-7-9-11-23)37-18-17-26(22(37)3)33(42)43-5-2/h7-11,13-18,28H,4-6,12,19-21H2,1-3H3,(H,35,41)(H,39,40)/t28-/m0/s1
PubChem CID44294051
ChEMBLCHEMBL45659
IUPHARN/A
BindingDB50047950
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
IC50140.0 nMPMID8510101BindingDB,ChEMBL

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