| Reaction Details |
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 | Report a problem with these data |
| Target | Collagenase 3 |
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| Ligand | BDBM50129994 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_106640 |
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| IC50 | 7±n/a nM |
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| Citation |  Reiter, LA; Mitchell, PG; Martinelli, GJ; Lopresti-Morrow, LL; Yocum, SA; Eskra, JD Phosphinic acid-based MMP-13 inhibitors that spare MMP-1 and MMP-3. Bioorg Med Chem Lett13:2331-6 (2003) [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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| BDBM50129994 |
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| n/a |
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| Name | BDBM50129994 |
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| Synonyms: | 2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)carbamoyl)-4-phenylbutyl(4-(2-methoxybenzyl)benzyl)phosphinic acid | CHEMBL77995 | [2-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-phenyl-butyl]-[4-(2-methoxy-benzyl)-benzyl]-phosphinic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C33H43N2O5P |
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| Mol. Mass. | 578.6787 |
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| SMILES | CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C |
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| Structure | 
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