Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM23971
Substrate
n/a
Meas. Tech.
MMP-2 Inhibition Assay
IC50
163480±1130 nM
Citation
 Zhang, X; Zhang, L; Zhang, J; Feng, J; Yuan, Y; Fang, H; Xu, W Design, synthesis and preliminary activity evaluation of novel 3-amino-2-hydroxyl-3-phenylpropanoic acid derivatives as aminopeptidase N/CD13 inhibitors. J Enzyme Inhib Med Chem 28:545-51 (2013) [PubMed]  Article 
Target
Name:
72 kDa type IV collagenase
Synonyms:
Gelatinase 2 (MMP-2)
Type:
Protein
Mol. Mass.:
73661.44
Organism:
Sus scrofa (Pig)
Description:
Q95JA4
Residue:
661
Sequence:
MTEARGARGALAGPLRALCVLGCLLGRAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGELDQSTIETMRKPRCGNPDVANYNFFPRKPKWDKTQITYRIIGYTPDLDPETVDDAFARAFRVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGPGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFSFNGKEYNSCTDTGRSDGFLWCSTTYNFDKDGKYGFCPHEALFTMGGNADGQPCKFPFRFQGTSYNSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKHESCTSAGRSDGKLWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSEDPGALMAPIYTYTKNFRLSHDDVKGIQELYGASPDIDTGTGPTPTLGPVTPEICKQDIVFDGISQIRGEIFFFKDRFIWRTVTPRDKPMVAPAGATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWVYSASTLERGYPKPLTSLGLPPDVQKVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
  
Inhibitor
Name:
BDBM23971
Synonyms:
(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoic acid | Bestatin | CHEMBL29292 | Ubenimex
Type:
Small organic molecule
Emp. Form.:
C16H24N2O4
Mol. Mass.:
308.3728
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: