| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50104720 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_106610 (CHEMBL717447) |
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| Ki | >15000±n/a nM |
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| Citation |  Schröder, J; Henke, A; Wenzel, H; Brandstetter, H; Stammler, HG; Stammler, A; Pfeiffer, WD; Tschesche, H Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold. J Med Chem44:3231-43 (2001) [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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| BDBM50104720 |
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| n/a |
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| Name | BDBM50104720 |
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| Synonyms: | (R)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl)-3-methyl-2-(phenylsulfonamido)butanamide | 2-Benzenesulfonylamino-N-[5-(4-chloro-phenyl)-6H-[1,3,4]thiadiazin-2-yl]-3-methyl-butyramide | CHEMBL422251 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H21ClN4O3S2 |
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| Mol. Mass. | 464.989 |
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| SMILES | CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:20,t:18| |
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| Structure | 
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