Reaction Details Report a problem with these data
Target
Thermolysin
Ligand
BDBM50024102
Substrate
n/a
Meas. Tech.
ChEMBL_210390 (CHEMBL812110)
IC50
1800±n/a nM
Citation
 Gomez-Monterrey, I; Beaumont, A; Nemecek, P; Roques, BP; Fournie-Zaluski, MC New thiol inhibitors of neutral endopeptidase EC 3.4.24.11: synthesis and enzyme active-site recognition. J Med Chem 37:1865-73 (1994) [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:
BDBM50024102
Synonyms:
((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-acetic acid | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE | (S) (2-Mercaptomethyl-3-phenyl-propionylamino)-acetic acid | 2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl-ethylamino]-4-phenyl-butyric acid(Thiorphan) | CHEMBL298827
Type:
Small organic molecule
Emp. Form.:
C12H15NO3S
Mol. Mass.:
253.317
SMILES:
OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: