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Target
Neutrophil collagenase
Ligand
BDBM50077448
Substrate
n/a
Meas. Tech.
ChEMBL_105812 (CHEMBL717812)
IC50
30±n/a nM
Citation
 Matter, H; Schwab, W; Barbier, D; Billen, G; Haase, B; Neises, B; Schudok, M; Thorwart, W; Schreuder, H; Brachvogel, V; Lönze, P; Weithmann, KU Quantitative structure-activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure analysis. J Med Chem 42:1908-20 (1999) [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:
BDBM50077448
Synonyms:
CHEMBL299720 | {(R)-2-[4-(4-Dimethylamino-phenoxy)-benzenesulfonyl]-1,2,3,4-tetrahydro-isoquinolin-3-yl}-oxo-acetic acid
Type:
Small organic molecule
Emp. Form.:
C25H24N2O6S
Mol. Mass.:
480.533
SMILES:
CN(C)c1ccc(Oc2ccc(cc2)S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)C(O)=O)cc1
Structure:
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