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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

NameCHEMBL301147
Molecular formulaC33H37ClN4O5
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]pyrrole-3-carboxylate
Molecular weight605.132
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.1
Synonyms1-[4-[[(2S)-2-(3-Ethoxycarbonyl-1H-pyrrol-1-yl)-3-phenyl-1-oxopropyl]amino]benzyl]-2-butyl-4-chloro-1H-imidazole-5-acetic acid methyl ester
Inchi KeyDDEOOVQJXFDRHJ-NDEPHWFRSA-N
Inchi IDInChI=1S/C33H37ClN4O5/c1-4-6-12-29-36-31(34)27(20-30(39)42-3)38(29)21-24-13-15-26(16-14-24)35-32(40)28(19-23-10-8-7-9-11-23)37-18-17-25(22-37)33(41)43-5-2/h7-11,13-18,22,28H,4-6,12,19-21H2,1-3H3,(H,35,40)/t28-/m0/s1
PubChem CID44293940
ChEMBLCHEMBL301147
IUPHARN/A
BindingDBN/A
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
Inhibition7.2 %PMID8510101ChEMBL

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