Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target72 kDa type IV collagenase
LigandBDBM50269056
Substrate/Competitorn/a
Meas. Tech.ChEMBL_523764 (CHEMBL1008372)
IC50 156±n/a nM
Citation Burns, DMLi, YLShi, EHe, CXu, MZhuo, JZhang, CQian, DQLi, YWynn, RCovington, MBKatiyar, KMarando, CAFridman, JSScherle, PFriedman, SMetcalf, BYao, W Compelling P1 substituent affect on metalloprotease binding profile enables the design of a novel cyclohexyl core scaffold with excellent MMP selectivity and HER-2 sheddase inhibition. Bioorg Med Chem Lett19:3525-30 (2009) [PubMed]  Article
More Info.:Get all data from this article,  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:
BDBM50269056
n/a
NameBDBM50269056
Synonyms:(1S,2S,5RS)-N-hydroxy-5-(2-((R)-3-hydroxypyrrolidin-1-yl)-2-oxoethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexanecarboxamide | CHEMBL497032
TypeSmall organic molecule
Emp. Form.C24H34N4O5
Mol. Mass.458.5506
SMILESONC(=O)[C@H]1CC(CC(=O)N2CC[C@@H](O)C2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: