Reaction Details |
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Target | Thermolysin |
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Ligand | BDBM50292712 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_494286 (CHEMBL938618) |
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IC50 | 0.064±n/a nM |
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Citation | Khan, MT; Fuskevåg, OM; Sylte, I Discovery of potent thermolysin inhibitors using structure based virtual screening and binding assays. J Med Chem52:48-61 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Thermolysin |
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Name: | Thermolysin |
Synonyms: | THER_BACTH | npr |
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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BDBM50292712 |
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n/a |
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Name | BDBM50292712 |
Synonyms: | 1beta-D-arabinofuranosyl-N4-lauroylcytosine | CHEMBL459183 |
Type | Small organic molecule |
Emp. Form. | C21H35N3O6 |
Mol. Mass. | 425.5191 |
SMILES | CCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r| |
Structure |
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