Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM8465
Substrate
Unknown
Meas. Tech.
Enzyme Inhibition Assay
Ki
33±n/a nM
Citation
 MacPherson, LJ; Bayburt, EK; Capparelli, MP; Carroll, BJ; Goldstein, R; Justice, MR; Zhu, L; Hu, S; Melton, RA; Fryer, L; Goldberg, RL; Doughty, JR; Spirito, S; Blancuzzi, V; Wilson, D; O'Byrne, EM; Ganu, V; Parker, DT Discovery of CGS 27023A, a non-peptidic, potent, and orally active stromelysin inhibitor that blocks cartilage degradation in rabbits. J Med Chem 40:2525-32 (1997) [PubMed]  Article 
Target
Name:
Interstitial collagenase
Synonyms:
CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Homo sapiens (Human)
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
  
Inhibitor
Name:
BDBM8465
Synonyms:
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-3-methylbutanamide | BMCL16311 Compound 1a | CGS 27023 | CGS 27023A | CHEMBL514138 | hydroxamate analogue 1
Type:
Small organic molecule
Emp. Form.:
C18H23N3O5S
Mol. Mass.:
393.457
SMILES:
COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Unknown
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA