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TargetCollagenase 3
LigandBDBM50361618
Substrate/Competitorn/a
Meas. Tech.ChEMBL_799149 (CHEMBL1942133)
IC50 4±n/a nM
Citation Taylor, SJAbeywardane, ALiang, SMuegge, IPadyana, AKXiong, ZHill-Drzewi, MFarmer, BLi, XCollins, BLi, JXHeim-Riether, AProudfoot, JZhang, QGoldberg, DZuvela-Jelaska, LZaher, HLi, JFarrow, NA Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13. J Med Chem54:8174-87 (2011) [PubMed]  Article
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:
BDBM50361618
n/a
NameBDBM50361618
Synonyms:CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
TypeSmall organic molecule
Emp. Form.C24H22N4O5
Mol. Mass.446.4553
SMILESCCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(cc1)C(O)=O
Structure
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