Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM13080
Substrate
n/a
Meas. Tech.
ChEMBL_2238916 (CHEMBL5152812)
IC50
5.2±n/a nM
Citation
 Manning, JC; Baldoneschi, V; Romero-Hernández, LL; Pichler, KM; GarcÍa Caballero, G; André, S; Kutzner, TJ; Ludwig, AK; Zullo, V; Richichi, B; Windhager, R; Kaltner, H; Toegel, S; Gabius, HJ; Murphy, PV; Nativi, C Targeting osteoarthritis-associated galectins and an induced effector class by a ditopic bifunctional reagent: Impact of its glycan part on binding measured in the tissue context. Bioorg Med Chem 75:0 (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:
BDBM13080
Synonyms:
CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]acetamide | US20230357139, Compound A | US20240050571, Compound NNGH
Type:
Small organic molecule
Emp. Form.:
C13H20N2O5S
Mol. Mass.:
316.373
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Structure:
Search PDB for entries with ligand similarity: