Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50297243
Substrate
n/a
Meas. Tech.
ChEMBL_581466 (CHEMBL1055710)
IC50
6.4±n/a nM
Citation
 Li, W; Hu, Y; Li, J; Thomason, JR; DeVincentis, D; Du, X; Wu, J; Hotchandani, R; Rush, TS; Skotnicki, JS; Tam, S; Chockalingam, PS; Morris, EA; Levin, JI 3,4-Disubstituted benzofuran P1' MMP-13 inhibitors: optimization of selectivity and reduction of protein binding. Bioorg Med Chem Lett 19:4546-50 (2009) [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:
BDBM50297243
Synonyms:
(S)-2-(4'-(4-(furan-3-yl)-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid | CHEMBL541218
Type:
Small organic molecule
Emp. Form.:
C31H28N2O7S
Mol. Mass.:
572.628
SMILES:
CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(-c4ccoc4)c3c2C)cc1)C(O)=O |r|
Structure:
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