Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50104706
Substrate
n/a
Meas. Tech.
ChEMBL_106610 (CHEMBL717447)
Ki
120±n/a nM
Citation
 Schröder, J; Henke, A; Wenzel, H; Brandstetter, H; Stammler, HG; Stammler, A; Pfeiffer, WD; Tschesche, H Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold. J Med Chem 44:3231-43 (2001) [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:
BDBM50104706
Synonyms:
CHEMBL111179 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]thiadiazin-2-yl]-2-phenylmethanesulfonylamino-propionamide
Type:
Small organic molecule
Emp. Form.:
C19H19ClN4O3S2
Mol. Mass.:
450.962
SMILES:
C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:19,t:17|
Structure:
Search PDB for entries with ligand similarity: