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Target
Stromelysin-1
Ligand
BDBM50064798
Substrate
n/a
Meas. Tech.
ChEMBL_104888 (CHEMBL709186)
IC50
4045±n/a nM
Citation
 Szardenings, AK; Harris, D; Lam, S; Shi, L; Tien, D; Wang, Y; Patel, DV; Navre, M; Campbell, DA Rational design and combinatorial evaluation of enzyme inhibitor scaffolds: identification of novel inhibitors of matrix metalloproteinases. J Med Chem 41:2194-200 (1998) [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:
BDBM50064798
Synonyms:
(3R,6S)-6-Benzyl-3-mercaptomethyl-1-(4-methoxy-benzyl)-piperazine-2,5-dione | CHEMBL30034
Type:
Small organic molecule
Emp. Form.:
C20H22N2O3S
Mol. Mass.:
370.465
SMILES:
COc1ccc(CN2[C@@H](Cc3ccccc3)C(=O)N[C@@H](CS)C2=O)cc1
Structure:
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