Reaction Details Report a problem with these data
Target
Matrix metalloproteinase-9
Ligand
BDBM50128598
Substrate
n/a
Meas. Tech.
ChEMBL_825929 (CHEMBL2044953)
IC50
35±n/a nM
Citation
 Zhong, H; Wees, MA; Faure, TD; Carrillo, C; Arbiser, J; Bowen, JP The impact of ionization States of matrix metalloproteinase inhibitors on docking-based inhibitor design. ACS Med Chem Lett 2:455-460 (2011) [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:
BDBM50128598
Synonyms:
2-Allyl-2-(4-methoxy-benzenesulfonyl)-pent-4-enoic acid hydroxyamide | 2-allyl-N-hydroxy-2-(4-methoxyphenylsulfonyl)pent-4-enamide | CHEMBL76970
Type:
Small organic molecule
Emp. Form.:
C15H19NO5S
Mol. Mass.:
325.38
SMILES:
COc1ccc(cc1)S(=O)(=O)C(CC=C)(CC=C)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: