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Target
Thermolysin
Ligand
BDBM50474105
Substrate
n/a
Meas. Tech.
ChEMBL_210407 (CHEMBL814136)
Ki
0.068±n/a nM
Citation
 Böhm, M; Klebe, G Development of new hydrogen-bond descriptors and their application to comparative molecular field analyses. J Med Chem 45:1585-97 (2002) [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:
BDBM50474105
Synonyms:
CHEMBL43341
Type:
Small organic molecule
Emp. Form.:
C25H34N3O7P
Mol. Mass.:
519.5271
SMILES:
CC(C)CC(NP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(C)C(O)=O
Structure:
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