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Target
Thermolysin
Ligand
BDBM50070934
Substrate
n/a
Meas. Tech.
ChEMBL_1468794 (CHEMBL3411804)
Ki
59±n/a nM
Citation
 Nasief, NN; Hangauer, D Additivity or cooperativity: which model can predict the influence of simultaneous incorporation of two or more functionalities in a ligand molecule? Eur J Med Chem 90:897-915 (2015) [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:
BDBM50070934
Synonyms:
CHEMBL3409513
Type:
Small organic molecule
Emp. Form.:
C20H33LiN3O5P
Mol. Mass.:
433.408
SMILES:
[Li+].CCCCCNC(=O)[C@H](CC(C)C)NP([O-])(=O)CNC(=O)OCc1ccccc1 |r|
Structure:
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