Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM76247
Substrate
n/a
Meas. Tech.
ChEMBL_827438 (CHEMBL2051217)
IC50
43550±n/a nM
Citation
 Wang, L; Li, X; Zhang, S; Lu, W; Liao, S; Liu, X; Shan, L; Shen, X; Jiang, H; Zhang, W; Huang, J; Li, H Natural products as a gold mine for selective matrix metalloproteinases inhibitors. Bioorg Med Chem 20:4164-71 (2012) [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:
BDBM76247
Synonyms:
MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-hydroxyphenyl)-3,5-bis(oxidanyl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-9-yl]-[2,4,6-tris(oxidanyl)phenyl]methanone | [(2R,3S)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4,8,9-tetrahydro-2H-furo[2,3-h][1]benzopyran-9-yl]-(2,4,6-trihydroxyphenyl)methanone | [(2R,3S)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone | cid_44144307 | dihydrodaphnodorin B
Type:
Small organic molecule
Emp. Form.:
C30H24O10
Mol. Mass.:
544.5056
SMILES:
O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Structure:
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