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Target
Interstitial collagenase
Ligand
BDBM50175549
Substrate
n/a
Meas. Tech.
ChEMBL_321355 (CHEMBL881499)
IC50
22±n/a nM
Citation
 Alberts, IL; Todorov, NP; Dean, PM Receptor flexibility in de novo ligand design and docking. J Med Chem 48:6585-96 (2005) [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:
BDBM50175549
Synonyms:
CHEMBL198055 | N-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-butyramide
Type:
Small organic molecule
Emp. Form.:
C16H15NO4
Mol. Mass.:
285.2946
SMILES:
ONC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1
Structure:
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