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TargetCollagenase 3
LigandBDBM50337733
Substrate/Competitorn/a
Meas. Tech.ChEMBL_728836 (CHEMBL1686371)
IC50 180±n/a nM
Citation De Savi, CPape, ACumming, JGTing, ASmith, PDBurrows, JNMills, MDavies, CLamont, SMilne, DCook, CMoore, PSawyer, YGerhardt, S The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis. Bioorg Med Chem Lett21:1376-81 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Collagenase 3
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:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50337733
n/a
NameBDBM50337733
Synonyms:CHEMBL1683444 | N-((2S,4S)-1-(4-(2,4-dichlorobenzyloxy)piperidin-1-ylsulfonyl)-4-(5-fluoropyrimidin-2-yl)pentan-2-yl)-N-hydroxyformamide | US10322143, Compound 2
TypeSmall organic molecule
Emp. Form.C22H27Cl2FN4O5S
Mol. Mass.549.443
SMILESC[C@@H](C[C@@H](CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1 |r|
Structure
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