Reaction Details  Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50098268
Substrate
n/a
Meas. Tech.
ChEMBL_105973 (CHEMBL715385)
pH
7.4±n/a
IC50
>10000±n/a nM
Comments
extracted
Citation
 Natchus, MG; Bookland, RG; Laufersweiler, MJ; Pikul, S; Almstead, NG; De, B; Janusz, MJ; Hsieh, LC; Gu, F; Pokross, ME; Patel, VS; Garver, SM; Peng, SX; Branch, TM; King, SL; Baker, TR; Foltz, DJ; Mieling, GE Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines. J Med Chem 44:1060-71 (2001) [PubMed]
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:
BDBM50098268
Synonyms:
2-[4-(4-Bromo-benzoylamino)-benzenesulfonylamino]-6-phenoxy-hex-4-ynoic acid | CHEMBL10908
Type:
Small organic molecule
Emp. Form.:
C25H21BrN2O6S
Mol. Mass.:
557.413
SMILES:
OC(=O)C(CC#CCOc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: