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TargetThermolysin
LigandBDBM50006115
Substrate/Competitorn/a
Meas. Tech.ChEBML_210389
Ki 2300±n/a nM
Citation Bohacek, RSMcMartin, 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 Chem35:1671-84 (1992) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thermolysin
Name:Thermolysin
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:60097.54
Organism:Bacillus thermoproteolyticus
Description:ChEMBL_1468794
Residue:548
Sequence:
MKMKMKLASFGLAAGLAAQVFLPYNALASTEHVTWNQQFQTPQFISGDLLKVNGTSPEEL
VYQYVEKNENKFKFHENAKDTLQLKEKKNDNLGFTFMRFQQTYKGIPVFGAVVTSHVKDG
TLTALSGTLIPNLDTKGSLKSGKKLSEKQARDIAEKDLVANVTKEVPEYEQGKDTEFVVY
VNGDEASLAYVVNLNFLTPEPGNWLYIIDAVDGKILNKFNQLDAAKPGDVKSITGTSTVG
VGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFASYDA
PAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQ
TFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEI
GEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGG
THYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQ
AFDAVGVK
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  Blast E-value cutoff:
BDBM50006115
NameBDBM50006115
Synonyms:(R)-RETRO-THIORPHAN | (RETRO)N-(1-Mercaptomethyl-2-phenyl-ethyl)-malonamic acid | (S) N-(1-Mercaptomethyl-2-phenyl-ethyl)-malonamic acid | CHEMBL45412
TypeSmall organic molecule
Emp. Form.C12H15NO3S
Mol. Mass.253.317
SMILESOC(=O)CC(=O)N[C@@H](CS)Cc1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a