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Target
Cathepsin B
Ligand
BDBM50484452
Substrate
n/a
Meas. Tech.
ChEMBL_785307 (CHEMBL1921486)
IC50
6800±n/a nM
Citation
 Murayama, S; Imae, Y; Takada, K; Kikuchi, J; Nakao, Y; van Soest, RW; Okada, S; Matsunaga, S Shishicrellastatins, inhibitors of cathepsin B, from the marine sponge Crella (Yvesia) spinulata. Bioorg Med Chem 19:6594-8 (2011) [PubMed]  Article 
Target
Name:
Cathepsin B
Synonyms:
BCSB | CATB_BOVIN | CTSB | Cathepsin B precursor | Cathepsin B1
Type:
Enzyme
Mol. Mass.:
36657.87
Organism:
Bos taurus (bovine)
Description:
Bovine spleen CB was purchased from Sigma Co. (USA).
Residue:
335
Sequence:
MWRLLATLSCLLVLTSARSSLYFPPLSDELVNFVNKQNTTWKAGHNFYNVDLSYVKKLCGAILGGPKLPQRDAFAADVVLPESFDAREQWPNCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHSNGRVNVEVSAEDMLTCCGGECGDGCNGGFPSGAWNFWTKKGLVSGGLYNSHVGCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKTCEPGYSPSYKEDKHFGCSSYSVANNEKEIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVSGEIMGGHAIRILGWGVENGTPYWLVGNSWNTDWGDNGFFKILRGQDHCGIESEIVAGMPCTHQY
  
Inhibitor
Name:
BDBM50484452
Synonyms:
Shishicrellastatin B
Type:
Small organic molecule
Emp. Form.:
C56H81Na3O16S3
Mol. Mass.:
1175.397
SMILES:
[Na;v0+].[Na;v0+].[Na;v0+].[H][C@]12[#6][C@]([#6])([#8]C1([#6])[#6])[#6@@H](-[#6]-[#6]-[#6@@H](-[#6])[C@@]1([H])[#6]-[#6]=[#6]3-[#6]-4=[#6](-[#6]-[#6][C@]13[#6])[C@@]1([#6])[#6]-[#6@H](-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#6])-[#6]1=[#6]-[#6]-4)-[#8][C@@]([H])([#6]2)[#6@@H](-[#6])[C@@]1([H])[#6]-[#6][C@@]2([H])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@]12[#6]-[#6][C@]([#8])([#8]-[#6]1)[#6@@H](-[#6])[C@]2([H])[#6@H](-[#6]-3)-[#8]S([#8-])(=O)=O |r,c:20,46,63,t:18|
Structure:
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