Reaction Details Report a problem with these data
Target
Thermolysin
Ligand
BDBM50607951
Substrate
n/a
Meas. Tech.
ChEMBL_2272117
Ki
59300±n/a nM
Citation
 Plescia, F; Maggio, B; Daidone, G; Raffa, D 4-(3H)-quinazolinones N-3 substituted with a five membered heterocycle: A promising scaffold towards bioactive molecules. Eur J Med Chem 213:0 (2021) [PubMed] 
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:
BDBM50607951
Synonyms:
CHEMBL1164912
Type:
Small organic molecule
Emp. Form.:
C17H11N3OS
Mol. Mass.:
305.354
SMILES:
O=c1n(-c2nccs2)c(nc2ccccc12)-c1ccccc1
Structure:
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