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Target
Interstitial collagenase
Ligand
BDBM50104711
Substrate
n/a
Meas. Tech.
ChEMBL_106137 (CHEMBL718684)
Ki
450±n/a nM
Citation
 Schröder, J; Henke, A; Wenzel, H; Brandstetter, H; Stammler, HG; Stammler, A; Pfeiffer, WD; Tschesche, H Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold. J Med Chem 44:3231-43 (2001) [PubMed]
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:
BDBM50104711
Synonyms:
2-Benzenesulfonylamino-N-[5-(5-chloro-thiophen-2-yl)-6H-[1,3,4]thiadiazin-2-yl]-propionamide | CHEMBL111678
Type:
Small organic molecule
Emp. Form.:
C16H15ClN4O3S3
Mol. Mass.:
442.963
SMILES:
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)s1 |c:18,t:16|
Structure:
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