Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCollagenase 3
LigandBDBM50071837
Substrate/Competitorn/a
Meas. Tech.ChEBML_106628
IC50 6.2±n/a nM
Citation Levin, JIDiJoseph, JFKillar, LMSung, AWalter, TSharr, MARoth, CESkotnicki, JSAlbright, JD The synthesis and biological activity of a novel series of diazepine MMP inhibitors. Bioorg Med Chem Lett8:2657-62 (1999) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Collagenase 3
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:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50071837
n/a
NameBDBM50071837
Synonyms:1-(4-Methoxy-benzenesulfonyl)-4-(4-trifluoromethoxy-benzoyl)-[1,4]diazepane-2-carboxylic acid hydroxyamide | CHEMBL329558 | N-hydroxy-1-(4-methoxyphenylsulfonyl)-4-(4-(trifluoromethoxy)benzoyl)-1,4-diazepane-2-carboxamide
TypeSmall organic molecule
Emp. Form.C21H22F3N3O7S
Mol. Mass.517.475
SMILESCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccc(OC(F)(F)F)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: