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TargetStromelysin-1
LigandBDBM11868
Substrate/Competitorn/a
Meas. Tech.ChEMBL_461865
IC50<1.5±n/a nM
Citation Burns, DMHe, CLi, YScherle, PLiu, XMarando, CACovington, MBYang, GPan, MTurner, SFridman, JSHollis, GVaddi, KYeleswaram, SNewton, RFriedman, SMetcalf, BYao, W Conversion of an MMP-potent scaffold to an MMP-selective HER-2 sheddase inhibitor via scaffold hybridization and subtle P1' permutations. Bioorg Med Chem Lett18:560-4 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Stromelysin-1
Name:Matrix metalloproteinase (2 and 3)
Synonyms:MMP-3 | Matrix metalloproteinase 3 | Matrix metalloproteinase-3 | Matrix metalloproteinase-3 (MMP-3) | Matrix metalloproteinase-3 (MMP3) | SL-1 | Stromelysin 1 | Transin-1
Type:Enzyme
Mol. Mass.:53973.13
Organism:Homo sapiens (Human)
Description:
Residue:477
Sequence:
MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQFVRRKDSGPV
VKKIREMQKFLGLEVTGKLDSDTLEVMRKPRCGVPDVGHFRTFPGIPKWRKTHLTYRIVN
YTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNV
LAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLY
HSLTDLTRFRLSQDDINGIQSLYGPPPDSPETPLVPTEPVPPEPGTPANCDPALSFDAVS
TLRGEILIFKDRHFWRKSLRKLEPELHLISSFWPSLPSGVDAAYEVTSKDLVFIFKGNQF
WAIRGNEVRAGYPRGIHTLGFPPTVRKIDAAISDKEKNKTYFFVEDKYWRFDEKRNSMEP
GFPKQIAEDFPGIDSKIDAVFEEFGFFYFFTGSSQLEFDPNAKKVTHTLKSNSWLNC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM11868
NameBDBM11868
Synonyms:CHEMBL256157 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulfonyl]methyl}-1-prop-2-ynylpiperidine-4-carboxamide Hydrochloride | N-hydroxy-4-{[(4-phenoxybenzene)sulfonyl]methyl}-1-(prop-2-yn-1-yl)piperidine-4-carboxamide hydrochloride | beta-sulfone 7e
TypeSmall organic molecule
Emp. Form.C22H24N2O5S
Mol. Mass.428.501
SMILESONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a