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Target
Collagenase 3
Ligand
BDBM50356210
Substrate
n/a
Meas. Tech.
ChEMBL_774908 (CHEMBL1913353)
IC50
1±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:
BDBM50356210
Synonyms:
CHEMBL1910467
Type:
Small organic molecule
Emp. Form.:
C24H23F3N2O5S
Mol. Mass.:
508.51
SMILES:
CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(c2)C(F)(F)F)cc1)C(O)=O |r|
Structure:
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