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Target
Interstitial collagenase
Ligand
BDBM50072563
Substrate
n/a
Meas. Tech.
ChEBML_102119
IC50
1.2±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 
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:
BDBM50072563
Synonyms:
(2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indole-3-carbonyl)-2,2-dimethyl-propyl]-3-isobutyl-succinamide | CHEMBL111798
Type:
Small organic molecule
Emp. Form.:
C25H35N3O4
Mol. Mass.:
441.5631
SMILES:
CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Structure:
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