Target
Matrix metalloproteinase-9
Ligand
BDBM8465
Substrate
NFF-2 Substrate
Meas. Tech.
Determination of MMP-13 Activity
Temperature
298.15±n/a K
IC50
6.8±n/a nM
Comments
extracted
Citation
 Monovich, LGTommasi, RAFujimoto, RABlancuzzi, VClark, KCornell, WDDoti, RDoughty, JFang, JFarley, DFitt, JGanu, VGoldberg, RGoldstein, RLavoie, SKulathila, RMacchia, WParker, DTMelton, RO'Byrne, EPastor, GPellas, TQuadros, EReel, NRoland, DMSakane, YSingh, HSkiles, JSomers, JToscano, KWigg, AZhou, SZhu, LShieh, WCXue, SMcQuire, LW Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13. J Med Chem 52:3523-38 (2009) [PubMed]  Article 
Target
Name:
Matrix metalloproteinase-9
Synonyms:
67 kDa matrix metalloproteinase-9 | 82 kDa matrix metalloproteinase-9 | 92 kDa gelatinase | 92 kDa type IV collagenase | CLG4B | GELB | Gelatinase B | MMP-9 | MMP9 | MMP9_HUMAN | Matrix metalloproteinase 9 (MMP-9) | Matrix metalloproteinase-9 (MMP-9) | Matrix metalloproteinase-9 (MMP9)
Type:
Enzyme
Mol. Mass.:
78452.28
Organism:
Homo sapiens (Human)
Description:
P14780
Residue:
707
Sequence:
MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGVVVPTRFGNADGAACHFPFIFEGRSYSACTTDGRSDGLPWCSTTANYDTDDRFGFCPSERLYTQDGNADGKPCQFPFIFQGQSYSACTTDGRSDGYRWCATTANYDRDKLFGFCPTRADSTVMGGNSAGELCVFPFTFLGKEYSTCTSEGRGDGRLWCATTSNFDSDKKWGFCPDQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLYGPRPEPEPRPPTTTTPQPTAPPTVCPTGPPTVHPSERPTAGPTGPPSAGPTGPPTAGPSTATTVPLSPVDDACNVNIFDAIAEIGNQLYLFKDGKYWRFSEGRGSRPQGPFLIADKWPALPRKLDSVFEERLSKKLFFFSGRQVWVYTGASVLGPRRLDKLGLGADVAQVTGALRSGRGKMLLFSGRRLWRFDVKAQMVDPRSASEVDRMFPGVPLDTHDVFQYREKAYFCQDRFYWRVSSRSELNQVDQVGYVTYDILQCPED
  
Inhibitor
Name:
BDBM8465
Synonyms:
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-3-methylbutanamide | BMCL16311 Compound 1a | CGS 27023 | CGS 27023A | CHEMBL514138 | hydroxamate analogue 1
Type:
Small organic molecule
Emp. Form.:
C18H23N3O5S
Mol. Mass.:
393.457
SMILES:
COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
NFF-2 Substrate
Synonyms:
n/a
Type:
Fluorogenic Substrate
Mol. Mass.:
2346.23
Organism:
n/a
Description:
n/a
Residue:
20
Sequence:
MCARPKPYANVAWMKDNPNH