Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50073830
Substrate
n/a
Meas. Tech.
ChEBML_106601
IC50
14±n/a nM
Citation
Reiter, LA; Rizzi, JP; Pandit, J; Lasut, MJ; McGahee, SM; Parikh, VD; Blake, JF; Danley, DE; Laird, ER; Lopez-Anaya, A; Lopresti-Morrow, LL; Mansour, MN; Martinelli, GJ; Mitchell, PG; Owens, BS; Pauly, TA; Reeves, LM; Schulte, GK; Yocum, SA Inhibition of MMP-1 and MMP-13 with phosphinic acids that exploit binding in the S2 pocket. Bioorg Med Chem Lett 9:127-32 (1999) [PubMed] Article
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:
BDBM50073830
Synonyms:
(4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-phenyl-butyl]-phosphinic acid | CHEMBL28389
Type:
Small organic molecule
Emp. Form.:
C32H41N2O4P
Mol. Mass.:
548.6527
SMILES:
CNC(=O)[C@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C