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Target
Matrix metalloproteinase-9
Ligand
BDBM50136261
Substrate
n/a
Meas. Tech.
ChEBML_105546
Ki
296±n/a nM
Citation
 Xue, CB; He, X; Roderick, J; Corbett, RL; Duan, JJ; Liu, RQ; Covington, MB; Qian, M; Ribadeneira, MD; Vaddi, K; Christ, DD; Newton, RC; Trzaskos, JM; Magolda, RL; Wexler, RR; Decicco, CP Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett 13:4299-304 (2003) [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:
BDBM50136261
Synonyms:
(3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-phenylcarbamoyl]-piperidine-1-carboxylic acid thiazol-4-ylmethyl ester | CHEMBL137323
Type:
Small organic molecule
Emp. Form.:
C29H29N5O6S
Mol. Mass.:
575.635
SMILES:
Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)OCc3cscn3)cc2)c2ccccc2n1
Structure:
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