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Target
Stromelysin-1
Ligand
BDBM50084738
Substrate
n/a
Meas. Tech.
ChEMBL_104886 (CHEMBL709184)
IC50
2.5±n/a nM
Citation
 Ambrose Amin, E; Welsh, WJ Three-dimensional quantitative structure-activity relationship (3D-QSAR) models for a novel class of piperazine-based stromelysin-1 (MMP-3) inhibitors: applying a"divide and conquer" strategy. J Med Chem 44:3849-55 (2001) [PubMed]  Article 
Target
Name:
Stromelysin-1
Synonyms:
MMP-3 | MMP3 | MMP3_HUMAN | Matrix metalloproteinase (2 and 3) | Matrix metalloproteinase 3 | Matrix metalloproteinase-3 | Matrix metalloproteinase-3 (MMP-3) | Matrix metalloproteinase-3 (MMP3) | SL-1 | STMY1 | Stromelysin 1 | Transin-1
Type:
Enzyme
Mol. Mass.:
53973.13
Organism:
Homo sapiens (Human)
Description:
P08254
Residue:
477
Sequence:
MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQFVRRKDSGPVVKKIREMQKFLGLEVTGKLDSDTLEVMRKPRCGVPDVGHFRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYGPPPDSPETPLVPTEPVPPEPGTPANCDPALSFDAVSTLRGEILIFKDRHFWRKSLRKLEPELHLISSFWPSLPSGVDAAYEVTSKDLVFIFKGNQFWAIRGNEVRAGYPRGIHTLGFPPTVRKIDAAISDKEKNKTYFFVEDKYWRFDEKRNSMEPGFPKQIAEDFPGIDSKIDAVFEEFGFFYFFTGSSQLEFDPNAKKVTHTLKSNSWLNC
  
Inhibitor
Name:
BDBM50084738
Synonyms:
4-(2-Amino-4-methyl-thiazole-5-sulfonyl)-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide | CHEMBL126044
Type:
Small organic molecule
Emp. Form.:
C16H21N5O7S3
Mol. Mass.:
491.562
SMILES:
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1sc(N)nc1C
Structure:
Search PDB for entries with ligand similarity: