Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM11867
Substrate
MMP Fluorogenic Peptide Substrate
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
700±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:
Interstitial collagenase
Synonyms:
CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Homo sapiens (Human)
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
  
Inhibitor
Name:
BDBM11867
Synonyms:
CHEMBL234350 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulfonyl]methyl}-1-(2-phenylethyl)piperidine-4-carboxamide Hydrochloride | N-hydroxy-4-{[(4-phenoxybenzene)sulfonyl]methyl}-1-(2-phenylethyl)piperidine-4-carboxamide hydrochloride | beta-sulfone 7d
Type:
Small organic molecule
Emp. Form.:
C27H30N2O5S
Mol. Mass.:
494.603
SMILES:
ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1
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