Reaction Details Report a problem with these data
Target
Thermolysin
Ligand
BDBM50006110
Substrate
n/a
Meas. Tech.
ChEBML_210389
Ki
9.1±n/a nM
Citation
 Bohacek, RS; McMartin, C Definition and display of steric, hydrophobic, and hydrogen-bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design. J Med Chem 35:1671-84 (1992) [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:
BDBM50006110
Synonyms:
(ZGPLA) 2-[2-(2-Benzyloxycarbonylamino-acetylamino)-4-methyl-pentanoylamino]-4-methyl-pentanoic acid | CHEMBL416089
Type:
Small organic molecule
Emp. Form.:
C22H34N3O9P
Mol. Mass.:
515.4938
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)OCc1ccccc1)P(O)(O)=O)C(O)=O
Structure:
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