Target
Thermolysin
Ligand
BDBM50056256
Substrate
n/a
Meas. Tech.
ChEMBL_210396 (CHEMBL814126)
IC50
16000±n/a nM
Citation
 Ksander, GMde Jesus, RYuan, AGhai, RDTrapani, AMcMartin, CBohacek, R Ortho-substituted benzofused macrocyclic lactams as zinc metalloprotease inhibitors. J Med Chem 40:495-505 (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:
BDBM50056256
Synonyms:
(6R,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-7-aza-benzocyclotridecene-6-carboxylic acid | CHEMBL149367
Type:
Small organic molecule
Emp. Form.:
C18H25NO3S
Mol. Mass.:
335.461
SMILES:
OC(=O)[C@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1
Structure:
Search PDB for entries with ligand similarity: