Reaction Details  Report a problem with these data
Target
Stromelysin-1
Ligand
BDBM50241374
Substrate
n/a
Meas. Tech.
ChEMBL_458939 (CHEMBL924958)
Ki
4074±n/a nM
Citation
 Verma, RP; Hansch, C Matrix metalloproteinases (MMPs): chemical-biological functions and (Q)SARs. Bioorg Med Chem 15:2223-68 (2007) [PubMed]  Article
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:
BDBM50241374
Synonyms:
(S)-1-(3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl)-3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)urea | (S)-3-Cyclohexyl-N-methyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-propionamide | CHEMBL398703
Type:
Small organic molecule
Emp. Form.:
C13H21N5O2S2
Mol. Mass.:
343.468
SMILES:
CNC(=O)[C@H](CC1CCCCC1)NC(=O)Nc1nnc(S)s1
Structure:
Search PDB for entries with ligand similarity: