Reaction Details Report a problem with these data
Target
Thermolysin
Ligand
BDBM50204382
Substrate
n/a
Meas. Tech.
ChEMBL_1550092 (CHEMBL3756038)
IC50
9500±n/a nM
Citation
 Sjøli, S; Nuti, E; Camodeca, C; Bilto, I; Rossello, A; Winberg, JO; Sylte, I; Adekoya, OA Synthesis, experimental evaluation and molecular modelling of hydroxamate derivatives as zinc metalloproteinase inhibitors. Eur J Med Chem 108:141-53 (2016) [PubMed]  Article 
Target
Name:
Thermolysin
Synonyms:
THER_BACTH | npr
Type:
PROTEIN
Mol. Mass.:
60097.54
Organism:
Bacillus thermoproteolyticus
Description:
ChEMBL_1468794
Residue:
548
Sequence:
MKMKMKLASFGLAAGLAAQVFLPYNALASTEHVTWNQQFQTPQFISGDLLKVNGTSPEELVYQYVEKNENKFKFHENAKDTLQLKEKKNDNLGFTFMRFQQTYKGIPVFGAVVTSHVKDGTLTALSGTLIPNLDTKGSLKSGKKLSEKQARDIAEKDLVANVTKEVPEYEQGKDTEFVVYVNGDEASLAYVVNLNFLTPEPGNWLYIIDAVDGKILNKFNQLDAAKPGDVKSITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQAFDAVGVK
  
Inhibitor
Name:
BDBM50204382
Synonyms:
2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228230
Type:
Small organic molecule
Emp. Form.:
C13H20N2O3
Mol. Mass.:
252.3095
SMILES:
CCCCC(NOCc1ccccc1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: