Reaction Details  Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50216790
Substrate
n/a
Meas. Tech.
ChEMBL_440138 (CHEMBL890449)
IC50
79600±n/a nM
Citation
 Fish, PV; Allan, GA; Bailey, S; Blagg, J; Butt, R; Collis, MG; Greiling, D; James, K; Kendall, J; McElroy, A; McCleverty, D; Reed, C; Webster, R; Whitlock, GA Potent and selective nonpeptidic inhibitors of procollagen C-proteinase. J Med Chem 50:3442-56 (2007) [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:
BDBM50216790
Synonyms:
(3R)-6-cyclohexyl-3-[3-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide | CHEMBL226852
Type:
Small organic molecule
Emp. Form.:
C18H25N5O5
Mol. Mass.:
391.4216
SMILES:
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1c[nH]c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: