Reaction Details  Report a problem with these data
Target
Matrilysin
Ligand
BDBM50335495
Substrate
n/a
Meas. Tech.
ChEMBL_831074 (CHEMBL2065775)
Ki
18200±n/a nM
Citation
 Lee, M; Ikejiri, M; Klimpel, D; Toth, M; Espahbodi, M; Hesek, D; Forbes, C; Kumarasiri, M; Noll, BC; Chang, M; Mobashery, S Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. ACS Med Chem Lett 3:490-495 (2012) [PubMed]  Article
Target
Name:
Matrilysin
Synonyms:
MMP7 | MMP7_HUMAN | MPSL1 | Matrix metalloproteinase 7 | Matrix metalloproteinase-7 (MMP-7) | Matrix metalloproteinase-7 (MMP7) | PUMP1
Type:
Enzyme
Mol. Mass.:
29681.54
Organism:
Homo sapiens (Human)
Description:
P09237
Residue:
267
Sequence:
MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK
  
Inhibitor
Name:
BDBM50335495
Synonyms:
4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl methanesulfonate | CHEMBL1651842 | US10357546, JNMS-38
Type:
Small organic molecule
Emp. Form.:
C16H16O6S3
Mol. Mass.:
400.49
SMILES:
CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Structure:
Search PDB for entries with ligand similarity: