Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50295504
Substrate
n/a
Meas. Tech.
ChEMBL_579100 (CHEMBL1062302)
IC50
>1000±n/a nM
Citation
 Li, W; Li, J; Wu, Y; Rancati, F; Vallese, S; Raveglia, L; Wu, J; Hotchandani, R; Fuller, N; Cunningham, K; Morgan, P; Fish, S; Krykbaev, R; Xu, X; Tam, S; Goldman, SJ; Abraham, W; Williams, C; Sypek, J; Mansour, TS Identification of an orally efficacious matrix metalloprotease 12 inhibitor for potential treatment of asthma. J Med Chem 52:5408-19 (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:
BDBM50295504
Synonyms:
(S)-2-(7-(3-Cyclopentylureido)dibenzo[b,d]thiophene-3-sulfonamido)-3-methylbutanoic Acid | CHEMBL564897
Type:
Small organic molecule
Emp. Form.:
C23H27N3O5S2
Mol. Mass.:
489.608
SMILES:
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)NC3CCCC3)ccc21)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: