Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM26808
Substrate
MMP Substrate Peptide
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
>4948±n/a nM
Citation
 Ott, GR; Asakawa, N; Liu, RQ; Covington, MB; Qian, M; Vaddi, K; Newton, RC; Trzaskos, JM; Christ, DD; Galya, L; Scholz, T; Marshall, W; Duan, JJ Alpha,Beta-cyclic-beta-benzamido hydroxamic acids: Novel oxaspiro[4.4]nonane templates for the discovery of potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett 18:1288-92 (2008) [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:
BDBM26808
Synonyms:
(7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl)methoxy]benzene}-1,4-dioxaspiro[4.4]nonane-7,8-diamido | 1,3-dioxolane beta-amino hydroxamate , 1
Type:
Small organic molecule
Emp. Form.:
C26H27N3O6
Mol. Mass.:
477.5091
SMILES:
Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
MMP Substrate Peptide
Synonyms:
n/a
Type:
Fluorogenic Peptide
Mol. Mass.:
2468.31
Organism:
n/a
Description:
MCA, (7-methoxycoumarin-4-yl)acetyl. Dpa, N-3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl.
Residue:
23
Sequence:
MCAPRLEGLYLEDPAALAARGNH