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Target
Interstitial collagenase
Ligand
BDBM413582
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
6070000±n/a nM
Citation
 Prades Cosano, R; Seco Moral, J; Tarragó Clua, MT Gelatinase inhibitors and use thereof US Patent  US10414797 Publication Date 9/17/2019 
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:
BDBM413582
Synonyms:
(2S)-1-[(2S)-2-[[(2S)-2-[butanoyl(methyl)amino]-3-(1H-indol-3-yl)propanoyl]-methyl-amino]-4-methyl-pentanoyl]-N-[(1S)-1-[[(1S)-3-[(3,5-difluorobenzoyl)amino]-1-(hydroxycarbamoyl)propyl]carbamoyl]-2-methyl-butyl]-N-methyl-pyrrolidine-2-carboxamide | US10414797, Example 14
Type:
Small organic molecule
Emp. Form.:
C46H64F2N8O8
Mol. Mass.:
895.046
SMILES:
CCCC(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C(C)CC)C(=O)N[C@@H](CCNC(=O)c1cc(F)cc(F)c1)C(=O)NO |r|
Structure:
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