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Target
Interstitial collagenase
Ligand
BDBM50359722
Substrate
n/a
Meas. Tech.
ChEMBL_791978 (CHEMBL1930038)
IC50
93000±n/a nM
Citation
 La Pietra, V; Marinelli, L; Cosconati, S; Di Leva, FS; Nuti, E; Santamaria, S; Pugliesi, I; Morelli, M; Casalini, F; Rossello, A; La Motta, C; Taliani, S; Visse, R; Nagase, H; da Settimo, F; Novellino, E Identification of novel molecular scaffolds for the design of MMP-13 inhibitors: a first round of lead optimization. Eur J Med Chem 47:143-52 (2012) [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:
BDBM50359722
Synonyms:
CHEMBL1927184
Type:
Small organic molecule
Emp. Form.:
C16H15NO4S
Mol. Mass.:
317.36
SMILES:
OC(=O)CCCN1C(=O)S\C(=C/C=C/c2ccccc2)C1=O
Structure:
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