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Target
Interstitial collagenase
Ligand
BDBM30395
Substrate
NFF-2 Substrate
Meas. Tech.
Determination of MMP-13 Activity
Temperature
298.15±n/a K
IC50
650±n/a nM
Comments
extracted
Citation
 Monovich, LG; Tommasi, RA; Fujimoto, RA; Blancuzzi, V; Clark, K; Cornell, WD; Doti, R; Doughty, J; Fang, J; Farley, D; Fitt, J; Ganu, V; Goldberg, R; Goldstein, R; Lavoie, S; Kulathila, R; Macchia, W; Parker, DT; Melton, R; O'Byrne, E; Pastor, G; Pellas, T; Quadros, E; Reel, N; Roland, DM; Sakane, Y; Singh, H; Skiles, J; Somers, J; Toscano, K; Wigg, A; Zhou, S; Zhu, L; Shieh, WC; Xue, S; McQuire, LW Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13. J Med Chem 52:3523-38 (2009) [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:
BDBM30395
Synonyms:
piperidinyl glycine derivative, 27b
Type:
Small organic molecule
Emp. Form.:
C24H26N2O7S3
Mol. Mass.:
550.667
SMILES:
COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccccc1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
NFF-2 Substrate
Synonyms:
n/a
Type:
Fluorogenic Substrate
Mol. Mass.:
2346.23
Organism:
n/a
Description:
n/a
Residue:
20
Sequence:
MCARPKPYANVAWMKDNPNH