Reaction Details Report a problem with these data
Target
Neutrophil collagenase
Ligand
BDBM11869
Substrate
MMP Fluorogenic Peptide Substrate
Meas. Tech.
Enzyme Inhibition Assay
Ki
0.7±n/a nM
Citation
 Becker, DP; Villamil, CI; Barta, TE; Bedell, LJ; Boehm, TL; Decrescenzo, GA; Freskos, JN; Getman, DP; Hockerman, S; Heintz, R; Howard, SC; Li, MH; McDonald, JJ; Carron, CP; Funckes-Shippy, CL; Mehta, PP; Munie, GE; Swearingen, CA Synthesis and structure-activity relationships of beta- and alpha-piperidine sulfone hydroxamic acid matrix metalloproteinase inhibitors with oral antitumor efficacy. J Med Chem 48:6713-30 (2005) [PubMed]  Article 
Target
Name:
Neutrophil collagenase
Synonyms:
CLG1 | MMP-8 | MMP8 | MMP8_HUMAN | Matrix metalloproteinase-8 | Neutrophil collagenase precursor | PMNL collagenase | PMNL-CL
Type:
Enzyme
Mol. Mass.:
53413.48
Organism:
Homo sapiens (Human)
Description:
P22894
Residue:
467
Sequence:
MFSLKTLPFLLLLHVQISKAFPVSSKEKNTKTVQDYLEKFYQLPSNQYQSTRKNGTNVIVEKLKEMQRFFGLNVTGKPNEETLDMMKKPRCGVPDSGGFMLTPGNPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIFTRISQGEADINIAFYQRDHGDNSPFDGPNGILAHAFQPGQGIGGDAHFDAEETWTNTSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYSLPQDDIDGIQAIYGLSSNPIQPTGPSTPKPCDPSLTFDAITTLRGEILFFKDRYFWRRHPQLQRVEMNFISLFWPSLPTGIQAAYEDFDRDLIFLFKGNQYWALSGYDILQGYPKDISNYGFPSSVQAIDAAVFYRSKTYFFVNDQFWRYDNQRQFMEPGYPKSISGAFPGIESKVDAVFQQEHFFHVFSGPRYYAFDLIAQRVTRVARGNKWLNCRYG
  
Inhibitor
Name:
BDBM11869
Synonyms:
4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl)-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide Hydrochloride | 4-({[4-(3,4-dimethylphenoxy)benzene]sulfonyl}methyl)-N-hydroxy-1-(prop-2-yn-1-yl)piperidine-4-carboxamide hydrochloride | beta-sulfone 7f
Type:
Small organic molecule
Emp. Form.:
C24H28N2O5S
Mol. Mass.:
456.555
SMILES:
Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
MMP Fluorogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2468.31
Organism:
n/a
Description:
n/a
Residue:
23
Sequence:
MCAPRLEGLYLEDPAALAARGNH