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Target
72 kDa type IV collagenase
Ligand
BDBM50342963
Substrate
n/a
Meas. Tech.
ChEMBL_748388 (CHEMBL1781552)
Ki
43600±n/a nM
Citation
 Li, D; Popovici-Muller, J; Belanger, DB; Caldwell, J; Dai, C; David, M; Girijavallabhan, VM; Lavey, BJ; Lee, JF; Liu, Z; Mazzola, R; Rizvi, R; Rosner, KE; Shankar, B; Spitler, J; Ting, PC; Vaccaro, H; Yu, W; Zhou, G; Zhu, Z; Niu, X; Sun, J; Guo, Z; Orth, P; Chen, S; Kozlowski, JA; Lundell, DJ; Madison, V; McKittrick, B; Piwinski, JJ; Shih, NY; Shipps, GW; Siddiqui, MA; Strickland, CO Structure and activity relationships of tartrate-based TACE inhibitors. Bioorg Med Chem Lett 20:4812-5 (2010) [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:
BDBM50342963
Synonyms:
(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide | CHEMBL1770629
Type:
Small organic molecule
Emp. Form.:
C25H27ClN4O4
Mol. Mass.:
482.959
SMILES:
C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(cc1)-n1cccn1 |r|
Structure:
Search PDB for entries with ligand similarity: