| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50309132 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_608479 (CHEMBL1065140) |
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| Ki | 7000±n/a nM |
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| Citation |  Rosner, KE; Guo, Z; Orth, P; Shipps, GW; Belanger, DB; Chan, TY; Curran, PJ; Dai, C; Deng, Y; Girijavallabhan, VM; Hong, L; Lavey, BJ; Lee, JF; Li, D; Liu, Z; Popovici-Muller, J; Ting, PC; Vaccaro, H; Wang, L; Wang, T; Yu, W; Zhou, G; Niu, X; Sun, J; Kozlowski, JA; Lundell, DJ; Madison, V; McKittrick, B; Piwinski, JJ; Shih, NY; Arshad Siddiqui, M; Strickland, CO The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg Med Chem Lett20:1189-93 (2010) [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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| BDBM50309132 |
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| n/a |
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| Name | BDBM50309132 |
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| Synonyms: | (2R,3R)-4-(4-(2-chlorophenyl)piperazin-1-yl)-2,3-dihydroxy-4-oxo-N-(2-(thiophen-2-yl)ethyl)butanamide | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide | CHEMBL605764 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H24ClN3O4S |
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| Mol. Mass. | 437.94 |
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| SMILES | O[C@H]([C@@H](O)C(=O)N1CCN(CC1)c1ccccc1Cl)C(=O)NCCc1cccs1 |r| |
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| Structure | 
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