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Target
Collagenase 3
Ligand
BDBM50173228
Substrate
n/a
Meas. Tech.
ChEMBL_321194 (CHEMBL882118)
IC50
3.8±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 
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:
BDBM50173228
Synonyms:
(S)-2-{4'-[(5-Ethyl-4-methoxy-3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid | CHEMBL194377
Type:
Small organic molecule
Emp. Form.:
C30H32N2O7S
Mol. Mass.:
564.649
SMILES:
CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1OC
Structure:
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