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TargetCollagenase 3
LigandBDBM50224846
Substrate/Competitorn/a
Meas. Tech.ChEMBL_458357 (CHEMBL941691)
IC50 0.05±n/a nM
Citation Freeman-Cook, KDReiter, LANoe, MCAntipas, ASDanley, DEDatta, KDowns, JTEisenbeis, SEskra, JDGarmene, DJGreer, EMGriffiths, RJGuzman, RHardink, JRJanat, FJones, CSMartinelli, GJMitchell, PGLaird, ERLiras, JLLopresti-Morrow, LLPandit, JReilly, UDRobertson, DVaughn-Bowser, MLWolf-Gouviea, LAYocum, SA Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13. Bioorg Med Chem Lett17:6529-34 (2007) [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:
BDBM50224846
n/a
NameBDBM50224846
Synonyms:4-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]dec-1-yl)-pyridin-2-yloxy]-phenyl}-oxazol-4-yl)-benzonitrile | CHEMBL250776
TypeSmall organic molecule
Emp. Form.C28H20N6O5
Mol. Mass.520.4956
SMILESO=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)nc2)C(=O)N1
Structure
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