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Target
Stromelysin-1
Ligand
BDBM50063918
Substrate
n/a
Meas. Tech.
ChEBML_102122
IC50
0.750000±n/a nM
Citation
 Sheppard, GS; Florjancic, AS; Giesler, JR; Xu, L; Guo, Y; Davidsen, SK; Marcotte, PA; Elmore, I; Albert, DH; Magoc, TJ; Bouska, JJ; Goodfellow, CL; Morgan, DW; Summers, JB Aryl ketones as novel replacements for the C-terminal amide bond of succinyl hydroxamate MMP inhibitors. Bioorg Med Chem Lett 8:3251-6 (1999) [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:
BDBM50063918
Synonyms:
(2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE | 4-Methyl-2-[1-methyl-2-(thiophen-2-ylsulfanyl)-ethyl]-pentanoic acid (1-methylcarbamoyl-2-phenyl-ethyl)-amide | BATIMASTAT | BB-94 | CHEMBL279786 | N*4*-Hydroxy-2-isobutyl-N*1*-(1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide
Type:
Small organic molecule
Emp. Form.:
C23H31N3O4S2
Mol. Mass.:
477.64
SMILES:
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Structure:
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