Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50607143
Substrate
n/a
Meas. Tech.
ChEMBL_2262276 (CHEMBL5217287)
IC50
33±n/a nM
Citation
 Fuerst, R; Choi, JY; Knapinska, AM; Cameron, MD; Ruiz, C; Delmas, A; Sundrud, MS; Fields, GB; Roush, WR Development of a putative Zn Bioorg Med Chem Lett 76:0 (2022) [PubMed] 
Target
Name:
Collagenase 3
Synonyms:
MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13)
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Homo sapiens (Human)
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50607143
Synonyms:
CHEMBL5220533
Type:
Small organic molecule
Emp. Form.:
C23H26N4O3S2
Mol. Mass.:
470.608
SMILES:
NCCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Structure:
Search PDB for entries with ligand similarity: