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Target
Thermolysin
Ligand
BDBM50138799
Substrate
n/a
Meas. Tech.
ChEMBL_1550091 (CHEMBL3756037)
IC50
90000±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:
BDBM50138799
Synonyms:
CHEMBL3752513
Type:
Small organic molecule
Emp. Form.:
C19H26N2O6S
Mol. Mass.:
410.485
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:19:20:23:27.18.26,19:18:21.20.25:23,17:18:21.20.25:23|
Structure:
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