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Target
Thermolysin
Ligand
BDBM50056259
Substrate
n/a
Meas. Tech.
ChEMBL_210397 (CHEMBL814127)
IC50
34000±n/a nM
Citation
 Ksander, GM; de Jesus, R; Yuan, A; Ghai, RD; McMartin, C; Bohacek, R Meta-substituted benzofused macrocyclic lactams as zinc metalloprotease inhibitors. J Med Chem 40:506-14 (1997) [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:
BDBM50056259
Synonyms:
(3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3.1]heptadeca-1(16),13(17),14-triene-6-carboxylic acid | CHEMBL357584
Type:
Small organic molecule
Emp. Form.:
C18H25NO3S
Mol. Mass.:
335.461
SMILES:
OC(=O)[C@@H]1CCCCCCc2cccc(C[C@H](CS)C(=O)N1)c2
Structure:
Search PDB for entries with ligand similarity: