Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM28485
Substrate
n/a
Meas. Tech.
ChEMBL_321194 (CHEMBL882118)
IC50
2.4±n/a nM
Citation
Li, J; Rush, TS; Li, W; DeVincentis, D; Du, X; Hu, Y; Thomason, JR; Xiang, JS; Skotnicki, JS; Tam, S; Cunningham, KM; Chockalingam, PS; Morris, EA; Levin, JI Synthesis and SAR of highly selective MMP-13 inhibitors. Bioorg Med Chem Lett 15:4961-6 (2005) [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:
BDBM28485
Synonyms:
(2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene}sulfonamido)-3-methylbutanoic acid | CHEMBL187523 | benzofuran, 1
Type:
Small organic molecule
Emp. Form.:
C26H24N2O6S
Mol. Mass.:
492.544
SMILES:
CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r|