Reaction Details |
| Report a problem with these data |
Target | Collagenase 3 |
---|
Ligand | BDBM50297247 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_581466 (CHEMBL1055710) |
---|
IC50 | 35±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 Lett19:4546-50 (2009) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Collagenase 3 |
---|
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: | MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
|
|
|
BDBM50297247 |
---|
n/a |
---|
Name | BDBM50297247 |
Synonyms: | (2S,3R)-3-hydroxy-2-(4-(5-(4-(methylsulfonamido)benzofuran-2-carboxamido)pyridin-2-yl)phenylsulfonamido)butanoic acid | CHEMBL562338 |
Type | Small organic molecule |
Emp. Form. | C25H24N4O9S2 |
Mol. Mass. | 588.609 |
SMILES | CC(O)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3c(NS(C)(=O)=O)cccc3o2)cn1)C(O)=O |r| |
Structure |
|