Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetStromelysin-1
LigandBDBM50064340
Substrate/Competitorn/a
Meas. Tech.ChEMBL_104875
Ki 1.9±n/a nM
Citation Xue CBVoss MENelson DJDuan JJCherney RJJacobson ICHe XRoderick JChen LCorbett RLWang LMeyer DTKennedy KDeGradodagger WFHardman KDTeleha CAJaffee BDLiu RQCopeland RACovington MBChrist DDTrzaskos JMNewton RCMagolda RLWexler RRDecicco CP Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem 44:2636-60 (2001) [PubMed]
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:
BDBM50064340
n/a
NameBDBM50064340
Synonyms:(2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide | (2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide | BB-16 | CHEMBL417537 | N*4*-Hydroxy-2-isobutyl-N*1*-[2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide
TypeSmall organic molecule
Emp. Form.C20H31N3O5
Mol. Mass.393.4772
SMILESCNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: