Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50078571
Substrate
n/a
Meas. Tech.
ChEBML_101933
IC50
2.3±n/a nM
Citation
 Hanessian, S; Bouzbouz, S; Boudon, A; Tucker, GC; Peyroulan, D Picking the S1, S1' and S2' pockets of matrix metalloproteinases. A niche for potent acyclic sulfonamide inhibitors. Bioorg Med Chem Lett 9:1691-6 (1999) [PubMed]  Article 
Target
Name:
72 kDa type IV collagenase
Synonyms:
72 kDa gelatinase | Gelatinase A | MMP-2 | MMP2_MOUSE | Matrix metalloproteinase-2 | Mmp2
Type:
PROTEIN
Mol. Mass.:
74091.47
Organism:
Mus musculus
Description:
ChEMBL_101933
Residue:
662
Sequence:
MEARVAWGALAGPLRVLCVLCCLLGRAIAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARALKVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGREYSSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNADGQPCKFPFRFQGTSYNSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRNDGKVWCATTTNYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGALMAPIYTYTKNFRLSHDDIKGIQELYGPSPDADTDTGTGPTPTLGPVTPEICKQDIVFDGIAQIRGEIFFFKDRFIWRTVTPRDKPTGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWVYSASTLERGYPKPLTSLGLPPDVQQVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIADSWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
  
Inhibitor
Name:
BDBM50078571
Synonyms:
(R)-2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benzenesulfonyl)-amino]-4-benzylsulfanyl-N-hydroxy-butyramide | CHEMBL47468
Type:
Small organic molecule
Emp. Form.:
C33H35N3O6S2
Mol. Mass.:
633.778
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)[C@H](CCSCc1ccccc1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: