Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50106026
Substrate
n/a
Meas. Tech.
ChEBML_104557
IC50
0.048000±n/a nM
Citation
 Holms, J; Mast, K; Marcotte, P; Elmore, I; Li, J; Pease, L; Glaser, K; Morgan, D; Michaelides, M; Davidsen, S Discovery of selective hydroxamic acid inhibitors of tumor necrosis factor-alpha converting enzyme. Bioorg Med Chem Lett 11:2907-10 (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:
BDBM50106026
Synonyms:
(S)-2,2-Dimethyl-4-[4-(pyridin-3-yloxy)-benzenesulfonyl]-thiomorpholine-3-carboxylic acid hydroxyamide | CHEMBL318484
Type:
Small organic molecule
Emp. Form.:
C18H21N3O5S2
Mol. Mass.:
423.506
SMILES:
CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2cccnc2)cc1
Structure:
Search PDB for entries with ligand similarity: