| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50523952 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1891530 (CHEMBL4393357) |
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| IC50 | >10000±n/a nM |
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| Citation |  Kalinin, DV; Agoglitta, O; Van de Vyver, H; Melesina, J; Wagner, S; Riemann, B; Schäfers, M; Sippl, W; Löffler, B; Holl, R Proline-based hydroxamates targeting the zinc-dependent deacetylase LpxC: Synthesis, antibacterial properties, and docking studies. Bioorg Med Chem27:1997-2018 (2019) [PubMed] Article |
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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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| BDBM50523952 |
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| n/a |
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| Name | BDBM50523952 |
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| Synonyms: | CHEMBL4539203 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H31N3O6 |
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| Mol. Mass. | 505.5622 |
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| SMILES | [H][C@@]12CN([C@@H](C(=O)NO)[C@]1([H])OC(C)(C)O2)C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| |
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| Structure | 
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