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Target
Collagenase 3
Ligand
BDBM50356214
Substrate
n/a
Meas. Tech.
ChEMBL_774908 (CHEMBL1913353)
IC50
0.100000±n/a nM
Citation
 Hu, Y; Xing, L; Thomason, JR; Xiang, J; Ipek, M; Guler, S; Li, H; Sabatini, J; Chockalingam, P; Reifenberg, E; Sheldon, R; Morris, EA; Georgiadis, KE; Tam, S Continued exploration of biphenylsulfonamide scaffold as a platform for aggrecanase-1 inhibition. Bioorg Med Chem Lett 21:6800-3 (2011) [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:
BDBM50356214
Synonyms:
CHEMBL1910471
Type:
Small organic molecule
Emp. Form.:
C25H24N2O5S
Mol. Mass.:
464.533
SMILES:
CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C#N)cc1)C(O)=O |r|
Structure:
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