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Target
Calpain small subunit 1/1 catalytic subunit
Ligand
BDBM50073850
Substrate
n/a
Meas. Tech.
ChEMBL_43696 (CHEMBL653673)
IC50
40±n/a nM
Citation
 Harris, AL; Gregory, JS; Maycock, AL; Graybill, TL; Osifo, IK; Schmidt, SJ; Dolle, RE Characterization of a continuous fluorogenic assay for calpain I. Kinetic evaluation of peptide aldehydes, halomethyl ketones and (acyloxy)methyl ketones as inhibitors of the enzyme Bioorg Med Chem Lett 5:393-398 (1995)    Article 
Target
Name:
Calpain small subunit 1/1 catalytic subunit
Synonyms:
Calpain 1 | Calpain 1/small subunit 1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 43671
Components:
This complex has 2 components.
Component 1
Name:
Calpain small subunit 1
Synonyms:
CAPN4 | CAPNS | CAPNS1 | CPNS1_HUMAN | Calpain 1
Type:
PROTEIN
Mol. Mass.:
28309.36
Organism:
Homo sapiens (Human)
Description:
EBI_12682
Residue:
268
Sequence:
MFLVNSFLKGGGGGGGGGGGLGGGLGNVLGGLISGAGGGGGGGGGGGGGGGGGGGGTAMRILGGVISAISEAAAQYNPEPPPPRTHYSNIEANESEEVRQFRRLFAQLAGDDMEVSATELMNILNKVVTRHPDLKTDGFGIDTCRSMVAVMDSDTTGKLGFEEFKYLWNNIKRWQAIYKQFDTDRSGTICSSELPGAFEAAGFHLNEHLYNMIIRRYSDESGNMDFDNFISCLVRLDAMFRAFKSLDKDGTGQIQVNIQEWLQLTMYS
  
Component 2
Name:
Calpain-1 catalytic subunit
Synonyms:
CAN1_HUMAN | CANPL1 | CAPN1 | Calpain ยต-type | Calpain-1 (u-Calpain) | Calpain-1 catalytic subunit | Calpain1
Type:
Protein
Mol. Mass.:
81880.51
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
714
Sequence:
MSEEIITPVYCTGVSAQVQKQRARELGLGRHENAIKYLGQDYEQLRVRCLQSGTLFRDEAFPPVPQSLGYKDLGPNSSKTYGIKWKRPTELLSNPQFIVDGATRTDICQGALGDCWLLAAIASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPIKDGKLVFVHSAEGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYQIILKALERGSLLGCSIDISSVLDMEAITFKKLVKGHAYSVTGAKQVNYRGQVVSLIRMRNPWGEVEWTGAWSDSSSEWNNVDPYERDQLRVKMEDGEFWMSFRDFMREFTRLEICNLTPDALKSRTIRKWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLDETDDPDDYGDRESGCSFVLALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPAVHLKRDFFLANASRARSEQFINLREVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKSAGTVELDDQIQANLPDEQVLSEEEIDENFKALFRQLAGEDMEISVKELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLYELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA
  
Inhibitor
Name:
BDBM50073850
Synonyms:
(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionic acid | CHEMBL423112 | MDL-28170 | [(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester | [1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester | [1-(1-Formyl-2-phenyl-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester | benzyl (2S)-3-methyl-1-oxo-1-(1-oxo-3-phenylpropan-2-ylamino)butan-2-ylcarbamate | benzyl (S)-3-methyl-1-oxo-1-(1-oxo-3-phenylpropan-2-ylamino)butan-2-ylcarbamate
Type:
Small organic molecule
Emp. Form.:
C22H26N2O4
Mol. Mass.:
382.4528
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r|
Structure:
Search PDB for entries with ligand similarity: