Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50106132
Substrate
n/a
Meas. Tech.
ChEBML_106645
IC50
7±n/a nM
Citation
 Levin, JI; Chen, JM; Du, MT; Nelson, FC; Wehr, T; DiJoseph, JF; Killar, LM; Skala, S; Sung, A; Sharr, MA; Roth, CE; Jin, G; Cowling, R; Di, L; Sherman, M; Xu, ZB; March, CJ; Mohler, KM; Black, RA; Skotnicki, JS The discovery of anthranilic acid-based MMP inhibitors. Part 3: incorporation of basic amines. Bioorg Med Chem Lett 11:2975-8 (2001) [PubMed]  Article 
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:
BDBM50106132
Synonyms:
5-Bromo-2-[(4-diethylamino-but-2-ynyl)-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methyl-benzamide | CHEMBL100134
Type:
Small organic molecule
Emp. Form.:
C23H28BrN3O5S
Mol. Mass.:
538.455
SMILES:
CCN(CC)CC#CCN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Structure:
Search PDB for entries with ligand similarity: