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Target
Calpain-1 catalytic subunit
Ligand
BDBM25895
Substrate
BODIPY FL casein
Meas. Tech.
BODIPY Fluorescent Microplate Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
290±n/a nM
Citation
 Jones, MA; Morton, JD; Coxon, JM; McNabb, SB; Lee, HY; Aitken, SG; Mehrtens, JM; Robertson, LJ; Neffe, AT; Miyamoto, S; Bickerstaffe, R; Gately, K; Wood, JM; Abell, AD Synthesis, biological evaluation and molecular modelling of N-heterocyclic dipeptide aldehydes as selective calpain inhibitors. Bioorg Med Chem 16:6911-23 (2008) [PubMed]  Article 
Target
Name:
Calpain-1 catalytic subunit
Synonyms:
Calpain I 80 kDa subunit | Calpain-1 | o-CAPN1
Type:
Enzyme
Mol. Mass.:
82073.19
Organism:
Ovis aries (sheep)
Description:
B2ZA85
Residue:
716
Sequence:
MAEEFITPVYCTGVSAQVQKQRAKELGLGRHENAIKYLGQDYEQLRVHCLQRGALFRDEAFPPVPQSLGFKELGPNSSKTYGIKWKRPTELFSNPQFIVDGATRTDICQGALGACWLLAAIASLTLNDTLLHRVVPHGQSFQDGYAGIFHFQLWQFGEWVDVVVDDLLPTKDGKLVFVHSAQGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYNIILKALERGSLLGCSIDISSILDMEAVTFKKLVKGHAYSVTGAKQVNYQGQMVNLIRMRNPWGEVEWTGAWSDGSSEWNGVDPYVREQLRIKMEDGEFWMSFRDFMREFTRLEICNLTPDALKSQRFRNWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLEETDDPDPDDYGGRESGCSFLLALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINLREVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTQELDDQVQANLPDEQVLSEEEIDENFKSLFRQLAGEDMEISVKELRTILNRIISKHKDLRTTGFSVESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIEFAGFKLNKKLYELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
  
Inhibitor
Name:
BDBM25895
Synonyms:
N-heterocyclic dipeptide aldehyde, 13 | methyl 5-{[(1S)-2-methyl-1-{[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl}propyl]carbamoyl}-1H-pyrrole-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H27N3O5
Mol. Mass.:
365.4241
SMILES:
COC(=O)c1ccc([nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BODIPY FL casein
Synonyms:
4,4-difluoro-5,7-dimethyl-4-bora-3a,4adiaza-s-indacene-3-propionic acid (BODIPY-FL) labeled casein
Type:
fluorescent dye-labeled substrate
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA