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Target
Collagenase 3
Ligand
BDBM50131519
Substrate
n/a
Meas. Tech.
ChEMBL_106634 (CHEMBL717018)
IC50
5±n/a nM
Citation
 Levin, JI; Chen, JM; Cheung, K; Cole, D; Crago, C; Santos, ED; Du, X; Khafizova, G; MacEwan, G; Niu, C; Salaski, EJ; Zask, A; Cummons, T; Sung, A; Xu, J; Zhang, Y; Xu, W; Ayral-Kaloustian, S; Jin, G; Cowling, R; Barone, D; Mohler, KM; Black, RA; Skotnicki, JS Acetylenic TACE inhibitors. Part 1. SAR of the acyclic sulfonamide hydroxamates. Bioorg Med Chem Lett 13:2799-803 (2003) [PubMed]  Article 
Target
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:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50131519
Synonyms:
2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-hydroxy-3-(pyridin-3-ylmethylthio)propanamide | 2-[(4-But-2-ynyloxy-benzenesulfonyl)-methyl-amino]-N-hydroxy-3-(pyridin-3-ylmethylsulfanyl)-propionamide | CHEMBL316298
Type:
Small organic molecule
Emp. Form.:
C20H23N3O5S2
Mol. Mass.:
449.544
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(CSCc1cccnc1)C(=O)NO
Structure:
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