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Target
72 kDa type IV collagenase
Ligand
BDBM50229643
Substrate
n/a
Meas. Tech.
ChEMBL_461864 (CHEMBL927857)
IC50
1999±n/a nM
Citation
 Burns, DM; He, C; Li, Y; Scherle, P; Liu, X; Marando, CA; Covington, MB; Yang, G; Pan, M; Turner, S; Fridman, JS; Hollis, G; Vaddi, K; Yeleswaram, S; Newton, R; Friedman, S; Metcalf, B; Yao, W Conversion of an MMP-potent scaffold to an MMP-selective HER-2 sheddase inhibitor via scaffold hybridization and subtle P1' permutations. Bioorg Med Chem Lett 18:560-4 (2008) [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:
BDBM50229643
Synonyms:
(S)-tetrahydrofuran-3-yl 4-((4-(4-cyano-2-methylphenyl)piperidin-1-ylsulfonyl)methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate | CHEMBL253665
Type:
Small organic molecule
Emp. Form.:
C25H34N4O7S
Mol. Mass.:
534.625
SMILES:
Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO)C#N
Structure:
Search PDB for entries with ligand similarity: