Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50288677
Substrate
n/a
Meas. Tech.
ChEBML_101916
Ki
4.8±n/a nM
Citation
 Caldwell, CG; Sahoo, SP; Polo, SA; Eversole, RR; Lanza, TJ; Mills, SG; Niedzwiecki, LM; Izquierdo-Martin, M; Chang, BC; Harrison, RK; Kuo, DW; Lin, TY; Stein, RL; Durette, PL; Hagmann, WK Phosphinic acid inhibitors of matrix metalloproteinases Bioorg Med Chem Lett 6:323-328 (1996)    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:
Human
Description:
P08253
Residue:
660
Sequence:
MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGALMAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQIRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
  
Inhibitor
Name:
BDBM50288677
Synonyms:
CHEMBL324691 | [(E)-4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-but-2-enyl]-[(S)-2-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-4-phenyl-butyl]-phosphinic acid
Type:
Small organic molecule
Emp. Form.:
C35H40N3O6P
Mol. Mass.:
629.6824
SMILES:
CC(C)C[C@H](NC(=O)C(CCc1ccccc1)=CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 |w:17.18|
Structure:
Search PDB for entries with ligand similarity: