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TargetCollagenase 3
LigandBDBM50026697
Substrate/Competitorn/a
Meas. Tech.ChEMBL_798828
IC50 10±n/a nM
Citation De Savi CMorley ADNash IKaroutchi GPage KTing AGerhardt S Lead optimisation of selective non-zinc binding inhibitors of MMP13. Part 2. Bioorg Med Chem Lett 22:271-7 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Collagenase 3
Name:Collagenase 3
Synonyms:MMP-13 | 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
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  Blast E-value cutoff:
BDBM50026697
n/a
NameBDBM50026697
Synonyms:CHEMBL1940287
TypeSmall organic molecule
Emp. Form.C31H32N2O5
Mol. Mass.512.5962
SMILESCOc1ccc(CNC(=O)c2ccc(Oc3ccc(cc3)C#C[C@]3(O)CN4CCC3CC4)cc2)cc1OC |r,wU:23.24,(-11.57,-13.27,;-10.23,-14.05,;-8.9,-13.28,;-7.55,-14.06,;-6.22,-13.29,;-6.22,-11.75,;-4.88,-10.98,;-3.54,-11.76,;-2.21,-10.99,;-2.2,-9.45,;-.87,-11.77,;.47,-11,;1.8,-11.78,;1.78,-13.32,;3.11,-14.1,;4.45,-13.33,;4.46,-11.79,;5.8,-11.03,;7.13,-11.82,;7.12,-13.35,;5.79,-14.11,;8.47,-11.05,;9.8,-10.29,;11.11,-9.51,;11.1,-11.03,;11.09,-7.98,;12.4,-7.21,;14.52,-7.63,;14.56,-9.81,;12.43,-10.25,;13.73,-9.47,;13.71,-7.97,;.45,-14.09,;-.88,-13.32,;-7.55,-10.97,;-8.89,-11.74,;-10.22,-10.96,;-11.56,-11.72,)|
Structure
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