Reaction Details  Report a problem with these data
Target
Stromelysin-1
Ligand
BDBM50098279
Substrate
n/a
Meas. Tech.
ChEMBL_104717 (CHEMBL710127)
pH
7.4±n/a
IC50
3520±n/a nM
Comments
extracted
Citation
 Natchus, MG; Bookland, RG; Laufersweiler, MJ; Pikul, S; Almstead, NG; De, B; Janusz, MJ; Hsieh, LC; Gu, F; Pokross, ME; Patel, VS; Garver, SM; Peng, SX; Branch, TM; King, SL; Baker, TR; Foltz, DJ; Mieling, GE Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines. J Med Chem 44:1060-71 (2001) [PubMed]
Target
Name:
Stromelysin-1
Synonyms:
MMP-3 | MMP3 | MMP3_HUMAN | Matrix metalloproteinase (2 and 3) | Matrix metalloproteinase 3 | Matrix metalloproteinase-3 | Matrix metalloproteinase-3 (MMP-3) | Matrix metalloproteinase-3 (MMP3) | SL-1 | STMY1 | Stromelysin 1 | Transin-1
Type:
Enzyme
Mol. Mass.:
53973.13
Organism:
Homo sapiens (Human)
Description:
P08254
Residue:
477
Sequence:
MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQFVRRKDSGPVVKKIREMQKFLGLEVTGKLDSDTLEVMRKPRCGVPDVGHFRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQDDINGIQSLYGPPPDSPETPLVPTEPVPPEPGTPANCDPALSFDAVSTLRGEILIFKDRHFWRKSLRKLEPELHLISSFWPSLPSGVDAAYEVTSKDLVFIFKGNQFWAIRGNEVRAGYPRGIHTLGFPPTVRKIDAAISDKEKNKTYFFVEDKYWRFDEKRNSMEPGFPKQIAEDFPGIDSKIDAVFEEFGFFYFFTGSSQLEFDPNAKKVTHTLKSNSWLNC
  
Inhibitor
Name:
BDBM50098279
Synonyms:
2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-(3-morpholin-4-yl-phenyl)-pent-4-ynoic acid | CHEMBL10655
Type:
Small organic molecule
Emp. Form.:
C28H28N2O6S
Mol. Mass.:
520.597
SMILES:
COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1cccc(c1)N1CCOCC1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: