Reaction Details  Report a problem with these data
Target
Thermolysin
Ligand
BDBM50321122
Substrate
n/a
Meas. Tech.
ChEMBL_637433 (CHEMBL1166366)
IC50
1250±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:
BDBM50321122
Synonyms:
2-Ethylquinazolin-4(3H)-one | CHEMBL1163173
Type:
Small organic molecule
Emp. Form.:
C14H9ClN2O
Mol. Mass.:
256.687
SMILES:
Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: