Reaction Details
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Target
Collagenase 3
Ligand
BDBM50082541
Substrate
n/a
Meas. Tech.
ChEMBL_106469 (CHEMBL877754)
IC50
1.3±n/a nM
Citation
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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:
BDBM50082541
Synonyms:
(S)-4-(4-Bromo-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazepane-3-carboxylic acid hydroxyamide | (S)-4-(4-bromophenylsulfonyl)-N-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide | CHEMBL140511
Type:
Small organic molecule
Emp. Form.:
C14H19BrN2O4S2
Mol. Mass.:
423.346
SMILES:
CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Br)cc1