Reaction Details Report a problem with these data
Target
Thermolysin
Ligand
BDBM50321119
Substrate
n/a
Meas. Tech.
ChEMBL_637434 (CHEMBL1166367)
Ki
1830000±n/a nM
Citation
 Khan, MT; Khan, R; Wuxiuer, Y; Arfan, M; Ahmed, M; Sylte, I Identification of novel quinazolin-4(3H)-ones as inhibitors of thermolysin, the prototype of the M4 family of proteinases. Bioorg Med Chem 18:4317-27 (2010) [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:
BDBM50321119
Synonyms:
3-({(1E)-[4-(Dimethylamino)phenyl]methylene}amino)-2-methylquinazolin-4(3H)-one | CHEMBL1164450
Type:
Small organic molecule
Emp. Form.:
C18H20N4O
Mol. Mass.:
308.3776
SMILES:
CC1Nc2ccccc2C(=O)N1\N=C\c1ccc(cc1)N(C)C
Structure:
Search PDB for entries with ligand similarity: