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Target
Neutrophil collagenase
Ligand
BDBM50523961
Substrate
n/a
Meas. Tech.
ChEMBL_1891528 (CHEMBL4393355)
IC50
198±n/a nM
Citation
 Kalinin, DV; Agoglitta, O; Van de Vyver, H; Melesina, J; Wagner, S; Riemann, B; Schäfers, M; Sippl, W; Löffler, B; Holl, R Proline-based hydroxamates targeting the zinc-dependent deacetylase LpxC: Synthesis, antibacterial properties, and docking studies. Bioorg Med Chem 27:1997-2018 (2019) [PubMed]  Article 
Target
Name:
Neutrophil collagenase
Synonyms:
CLG1 | MMP-8 | MMP8 | MMP8_HUMAN | Matrix metalloproteinase-8 | Neutrophil collagenase precursor | PMNL collagenase | PMNL-CL
Type:
Enzyme
Mol. Mass.:
53413.48
Organism:
Homo sapiens (Human)
Description:
P22894
Residue:
467
Sequence:
MFSLKTLPFLLLLHVQISKAFPVSSKEKNTKTVQDYLEKFYQLPSNQYQSTRKNGTNVIVEKLKEMQRFFGLNVTGKPNEETLDMMKKPRCGVPDSGGFMLTPGNPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIFTRISQGEADINIAFYQRDHGDNSPFDGPNGILAHAFQPGQGIGGDAHFDAEETWTNTSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYSLPQDDIDGIQAIYGLSSNPIQPTGPSTPKPCDPSLTFDAITTLRGEILFFKDRYFWRRHPQLQRVEMNFISLFWPSLPTGIQAAYEDFDRDLIFLFKGNQYWALSGYDILQGYPKDISNYGFPSSVQAIDAAVFYRSKTYFFVNDQFWRYDNQRQFMEPGYPKSISGAFPGIESKVDAVFQQEHFFHVFSGPRYYAFDLIAQRVTRVARGNKWLNCRYG
  
Inhibitor
Name:
BDBM50523961
Synonyms:
CHEMBL4441587
Type:
Small organic molecule
Emp. Form.:
C25H27N3O5
Mol. Mass.:
449.499
SMILES:
ONC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r|
Structure:
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