Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50343083
Substrate
n/a
Meas. Tech.
ChEMBL_744955 (CHEMBL1771914)
Ki
0.600000±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
More Info.:
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:
BDBM50343083
Synonyms:
CHEMBL1771218 | N-hydroxy-4-(4-(3-(5-(5-methylpyridin-2-yl)-1H-tetrazol-1-yl)propoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
Type:
Small organic molecule
Emp. Form.:
C22H26N6O6S
Mol. Mass.:
502.543
SMILES:
Cc1ccc(nc1)-c1nnnn1CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO