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Target
Interstitial collagenase
Ligand
BDBM50592900
Substrate
n/a
Meas. Tech.
ChEMBL_2206236 (CHEMBL5118944)
Ki
3.0±n/a nM
Citation
 Baidya, SK; Banerjee, S; Adhikari, N; Jha, T Selective Inhibitors of Medium-Size S1' Pocket Matrix Metalloproteinases: A Stepping Stone of Future Drug Discovery. J Med Chem 65:10709-10754 (2022) [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:
BDBM50592900
Synonyms:
CHEMBL5175770
Type:
Small organic molecule
Emp. Form.:
C22H36N4O5
Mol. Mass.:
436.545
SMILES:
CN1C(=O)N(C[C@@H]([C@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Structure:
Search PDB for entries with ligand similarity: