Reaction Details Report a problem with these data
Target
Calpain-1 catalytic subunit
Ligand
BDBM50114340
Substrate
n/a
Meas. Tech.
ChEMBL_2150867 (CHEMBL5035329)
IC50
22±n/a nM
Citation
Li, L; Chenna, BC; Yang, KS; Cole, TR; Goodall, ZT; Giardini, M; Moghadamchargari, Z; Hernandez, EA; Gomez, J; Calvet, CM; Bernatchez, JA; Mellott, DM; Zhu, J; Rademacher, A; Thomas, D; Blankenship, LR; Drelich, A; Laganowsky, A; Tseng, CK; Liu, WR; Wand, AJ; Cruz-Reyes, J; Siqueira-Neto, JL; Meek, TD Self-Masked Aldehyde Inhibitors: A Novel Strategy for Inhibiting Cysteine Proteases. J Med Chem 64:11267-11287 (2021) [PubMed] Article
More Info.:
Target
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:
BDBM50114340
Synonyms:
(S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-formyl-3-methyl-butyl)-3-methyl-butyramide | (S)-2-(4-fluorophenylsulfonamido)-3-methyl-N-((S)-4-methyl-1-oxopentan-2-yl)butanamide | CHEMBL288365 | N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal | SJA-6017
Type:
Small organic molecule
Emp. Form.:
C17H25FN2O4S
Mol. Mass.:
372.455
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r|