Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50343085
Substrate
n/a
Meas. Tech.
ChEMBL_744955 (CHEMBL1771914)
Ki
2±n/a nM
Citation
 Barta, TE; Becker, DP; Bedell, LJ; Easton, AM; Hockerman, SL; Kiefer, J; Munie, GE; Mathis, KJ; Li, MH; Rico, JG; Villamil, CI; Williams, JM MMP-13 selectivea-sulfone hydroxamates: a survey of P1' heterocyclic amide isosteres. Bioorg Med Chem Lett 21:2820-2 (2011) [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:
BDBM50343085
Synonyms:
1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)propoxy)phenylsulfonyl)piperidine-4-carboxamide | CHEMBL1771220
Type:
Small organic molecule
Emp. Form.:
C26H29F3N4O7S
Mol. Mass.:
598.591
SMILES:
CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Structure:
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