| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50082550 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_106469 (CHEMBL877754) |
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| IC50 | 1.4±n/a nM |
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| Citation |  Almstead, NG; Bradley, RS; Pikul, S; De, B; Natchus, MG; Taiwo, YO; Gu, F; Williams, LE; Hynd, BA; Janusz, MJ; Dunaway, CM; Mieling, GE Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors. J Med Chem42:4547-62 (1999) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Collagenase 3 |
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| Name: | Collagenase 3 |
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| Synonyms: | MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) |
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| Type: | Enzyme |
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| Mol. Mass.: | 53808.06 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P45452 |
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| Residue: | 471 |
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| Sequence: | MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
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| BDBM50082550 |
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| n/a |
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| Name | BDBM50082550 |
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| Synonyms: | (S)-4-(4-Methoxy-benzenesulfonyl)-6-methoxymethoxy-2,2-dimethyl-[1,4]thiazepane-3-carboxylic acid hydroxyamide | CHEMBL337594 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H26N2O7S2 |
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| Mol. Mass. | 434.528 |
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| SMILES | COCOC1CSC(C)(C)[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO |
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| Structure | 
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