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TargetCollagenase 3
LigandBDBM50343086
Substrate/Competitorn/a
Meas. Tech.ChEMBL_744955 (CHEMBL1771914)
Ki 1.7±n/a nM
Citation Barta, TEBecker, DPBedell, LJEaston, AMHockerman, SLKiefer, JMunie, GEMathis, KJLi, MHRico, JGVillamil, CIWilliams, JM MMP-13 selectivea-sulfone hydroxamates: a survey of P1' heterocyclic amide isosteres. Bioorg Med Chem Lett21:2820-2 (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:
BDBM50343086
n/a
NameBDBM50343086
Synonyms:CHEMBL1771221 | N-hydroxy-4-(4-(3-(4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)propoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
TypeSmall organic molecule
Emp. Form.C25H26F3N3O7S
Mol. Mass.569.55
SMILESONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cnc(c2)-c2ccc(OC(F)(F)F)cc2)cc1
Structure
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