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TargetStromelysin-1
LigandBDBM50142440
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1552496
Ki>10000±n/a nM
Citation Ruminski PGMassa MStrohbach JHanau CESchmidt MScholten JAFletcher TRHamper BCCarroll JNShieh HSCaspers NCollins BGrapperhaus MPalmquist KECollins JBaldus JEHitchcock JKleine HPRogers MDMcDonald JMunie GEMessing DMPortolan SWhiteley LOSunyer TSchnute ME Discovery of N-(4-Fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide. A Highly Selective and Orally Bioavailable Matrix Metalloproteinase-13 Inhibitor for the Potential Treatment of Osteoarthritis. J Med Chem 59:313-27 (2016) [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:
BDBM50142440
n/a
NameBDBM50142440
Synonyms:CHEMBL3759727
TypeSmall organic molecule
Emp. Form.C25H31N7O3
Mol. Mass.477.5587
SMILESCOc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CC[C@H](CC3)NC(C)=O)n2)c1 |r,wD:26.30,23.23,(6.64,-9.72,;6.65,-8.49,;5.32,-7.71,;3.98,-8.48,;2.65,-7.7,;2.66,-6.16,;3.99,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;,3.08,;1.24,3.97,;.77,5.43,;-.77,5.43,;-1.68,6.67,;-1.05,8.08,;.48,8.24,;1.11,9.64,;.21,10.89,;-1.32,10.73,;-1.95,9.33,;.84,12.3,;2.37,12.45,;3.09,11.45,;2.88,13.58,;-1.25,3.96,;5.33,-6.17,)|
Structure
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