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Target
Interstitial collagenase
Ligand
BDBM50064791
Substrate
n/a
Meas. Tech.
ChEMBL_105951 (CHEMBL715365)
IC50
1600±n/a nM
Citation
 Szardenings, AK; Harris, D; Lam, S; Shi, L; Tien, D; Wang, Y; Patel, DV; Navre, M; Campbell, DA Rational design and combinatorial evaluation of enzyme inhibitor scaffolds: identification of novel inhibitors of matrix metalloproteinases. J Med Chem 41:2194-200 (1998) [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:
BDBM50064791
Synonyms:
(3R,6R)-1,6-Bis-cyclohexylmethyl-3-mercaptomethyl-piperazine-2,5-dione | CHEMBL71573
Type:
Small organic molecule
Emp. Form.:
C19H32N2O2S
Mol. Mass.:
352.535
SMILES:
SC[C@@H]1NC(=O)[C@@H](CC2CCCCC2)N(CC2CCCCC2)C1=O
Structure:
Search PDB for entries with ligand similarity: