Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target72 kDa type IV collagenase
LigandBDBM30149
Substrate/CompetitorBDBM23499
Meas. Tech.TACE Inhibition Assay
Temperature298.15±n/a K
IC50 96±n/a nM
Commentsextracted
Citation Zhang, CLovering, FBehnke, MZask, ASandanayaka, VSun, LZhu, YXu, WZhang, YLevin, JI Synthesis and activity of quinolinylmethyl P1' alpha-sulfone piperidine hydroxamate inhibitors of TACE. Bioorg Med Chem Lett19:3445-8 (2009) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
72 kDa type IV collagenase
Name:72 kDa type IV collagenase
Synonyms:72 kDa gelatinase | 72 kDa type IV collagenase precursor | CLG4A | Gelatinase A | Gelatinase A (MMP-2) | MMP2 | MMP2_HUMAN | Matrix metalloproteinase-2 | Matrix metalloproteinase-2 (MMP 2) | Matrix metalloproteinase-2 (MMP2) | Matrix metalloproteinases 2 (MMP-2) | TBE-1
Type:Enzyme
Mol. Mass.:73870.36
Organism:Homo sapiens (Human)
Description: P08253
Residue:660
Sequence:
MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGC
PKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWD
KNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGD
GYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFN
GKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGT
SYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKY
ESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGAL
MAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQ
IRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEY
WIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDP
GFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM30149
BDBM23499
NameBDBM30149
Synonyms:alpha-sulfone piperidine hydroxamate, 11i
TypeSmall organic molecule
Emp. Form.C28H34N4O6S
Mol. Mass.554.658
SMILESCCN(CC)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: