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Target
Collagenase 3
Ligand
BDBM50201237
Substrate
n/a
Meas. Tech.
ChEMBL_453872 (CHEMBL885874)
Ki
>5025±n/a nM
Citation
 Sheppeck, JE; Gilmore, JL; Yang, A; Chen, XT; Xue, CB; Roderick, J; Liu, RQ; Covington, MB; Decicco, CP; Duan, JJ Discovery of novel hydantoins as selective non-hydroxamate inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett 17:1413-7 (2007) [PubMed]  Article 
Target
Name:
Collagenase 3
Synonyms:
MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13)
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Homo sapiens (Human)
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50201237
Synonyms:
2-((5R,6S)-2,4-dioxo-1,3-diaza-spiro[4.5]dec-6-yl)-N-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-acetamide | CHEMBL246577
Type:
Small organic molecule
Emp. Form.:
C27H28N4O4
Mol. Mass.:
472.5356
SMILES:
Cc1cc(COc2ccc(NC(=O)C[C@@H]3CCCC[C@@]33NC(=O)NC3=O)cc2)c2ccccc2n1
Structure:
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