Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50267959
Substrate
n/a
Meas. Tech.
ChEMBL_563473 (CHEMBL961021)
IC50
86300±n/a nM
Citation
 Li, X; Wang, J; Li, J; Wu, J; Li, Y; Zhu, H; Fan, R; Xu, W Novel aminopeptidase N inhibitors derived from antineoplaston AS2-5 (Part I). Bioorg Med Chem 17:3053-60 (2009) [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:
BDBM50267959
Synonyms:
(R)-4-(4-Carboxy-2-(3,4,5-trimethoxybenzamido)butanamido)-2-hydroxybenzoic acid | CHEMBL489231
Type:
Small organic molecule
Emp. Form.:
C22H24N2O10
Mol. Mass.:
476.4334
SMILES:
COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)Nc1ccc(C(O)=O)c(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: