Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50071263
Substrate
n/a
Meas. Tech.
ChEBML_102119
IC50
1.8±n/a nM
Citation
Sheppard, GS; Florjancic, AS; Giesler, JR; Xu, L; Guo, Y; Davidsen, SK; Marcotte, PA; Elmore, I; Albert, DH; Magoc, TJ; Bouska, JJ; Goodfellow, CL; Morgan, DW; Summers, JB Aryl ketones as novel replacements for the C-terminal amide bond of succinyl hydroxamate MMP inhibitors. Bioorg Med Chem Lett 8:3251-6 (1999) [PubMed] Article
More Info.:
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:
Human
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
Inhibitor
Name:
BDBM50071263
Synonyms:
(7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-7,11-dicarboxylic acid 7-hydroxyamide 11-methylamide | CHEMBL418292
Type:
Small organic molecule
Emp. Form.:
C22H33N3O5
Mol. Mass.:
419.5145
SMILES:
CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2