Reaction Details Report a problem with these data
Target
Thermolysin
Ligand
BDBM50129202
Substrate
n/a
Meas. Tech.
ChEMBL_210406 (CHEMBL814135)
Kd
190546±n/a nM
Citation
 Ishchenko, AV; Shakhnovich, EI SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions. J Med Chem 45:2770-80 (2002) [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:
BDBM50129202
Synonyms:
(S)-2-Amino-4-methyl-pentanoic acid hydroxyamide | (S)-2-amino-N-hydroxy-4-methylpentanamide | CHEMBL303296 | L-LEUCYL-HYDROXYLAMINE
Type:
Small organic molecule
Emp. Form.:
C6H14N2O2
Mol. Mass.:
146.1876
SMILES:
CC(C)C[C@H](N)C(=O)NO
Structure:
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