Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50100092
Substrate
n/a
Meas. Tech.
ChEBML_104559
IC50
200±n/a nM
Citation
 Baxter, AD; Bhogal, R; Bird, J; Keily, JF; Manallack, DT; Montana, JG; Owen, DA; Pitt, WR; Watson, RJ; Wills, RE Arylsulphonyl hydroxamic acids: potent and selective matrix metalloproteinase inhibitors. Bioorg Med Chem Lett 11:1465-8 (2001) [PubMed]  Article 
Target
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:
MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGALMAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQIRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
  
Inhibitor
Name:
BDBM50100092
Synonyms:
2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentanoic acid hydroxyamide | CHEMBL34353
Type:
Small organic molecule
Emp. Form.:
C25H27NO4S
Mol. Mass.:
437.551
SMILES:
ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: