Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50152930
Substrate
n/a
Meas. Tech.
ChEMBL_302674 (CHEMBL839437)
Ki
>4900±n/a nM
Citation
Xue, CB; Chen, XT; He, X; Roderick, J; Corbett, RL; Ghavimi, B; Liu, RQ; Covington, MB; Qian, M; Ribadeneira, MD; Vaddi, K; Trzaskos, J; Newton, RC; Duan, JJ; Decicco, CP Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett 14:4453-9 (2004) [PubMed] Article
More Info.:
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:
Human
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
Inhibitor
Name:
BDBM50152930
Synonyms:
CHEMBL359569 | N-Hydroxy-2-{1-isobutyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-pyrrolidin-3-yl}-acetamide
Type:
Small organic molecule
Emp. Form.:
C28H35N3O5S
Mol. Mass.:
525.66
SMILES:
CC(C)CN1CCC(CC(=O)NO)(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1