Medvedev Lab DrugDomain Protein List Small Molecules Download GitHub
Ligand name: (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
PDB ligand accession: 097
DrugBank: DB00786
PubChem: 119031
ChEMBL: CHEMBL279785
InChI Key: OCSMOTCMPXTDND-OUAUKWLOSA-N
SMILES: CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)NC)C(C)(C)C

ClassyFire chemical classification:

List of proteins that are targets for 097

# DrugDomain Data UniProt Accession Protein name Drug Action Affinity data
1 P03956_097 P03956 Interstitial collagenase (EC inhibitor Ki(nM) = 0.7
IC50(nM) = 0.78
2 Q9NRE1_097 Q9NRE1 Matrix metalloproteinase-26 (MMP-26) inhibitor IC50(nM) = 10000.0
3 Q99542_097 Q99542 Matrix metalloproteinase-19 (MMP-19) inhibitor
4 P08254_097 P08254 Stromelysin-1 (SL-1) (EC antagonist Ki(nM) = 2.4
IC50(nM) = 4.4
5 P45452_097 P45452 Collagenase 3 (EC inhibitor IC50(nM) = 0.74
6 Q9NPA2_097 Q9NPA2 Matrix metalloproteinase-25 (MMP-25) inhibitor IC50(nM) = 10000.0
7 P50281_097 P50281 Matrix metalloproteinase-14 (MMP-14) inhibitor IC50(nM) = 1.8
8 P09237_097 P09237 Matrilysin (EC 3.4.24.23) antagonist IC50(nM) = 4.1
9 Q9ULZ9_097 Q9ULZ9 Matrix metalloproteinase-17 (MMP-17) inhibitor
10 Q9BZ11_097 Q9BZ11 Disintegrin and metalloproteinase n/a
11 Q9UHI8_097 Q9UHI8 A disintegrin and n/a
12 P51511_097 P51511 Matrix metalloproteinase-15 (MMP-15) inhibitor IC50(nM) = 10000.0
13 P14780_097 P14780 Matrix metalloproteinase-9 (MMP-9) inhibitor Ki(nM) = 1.0
IC50(nM) = 0.79
14 P08253_097 P08253 72 kDa type inhibitor Ki(nM) = 0.6
IC50(nM) = 0.41
15 P51512_097 P51512 Matrix metalloproteinase-16 (MMP-16) inhibitor IC50(nM) = 10000.0
16 P24347_097 P24347 Stromelysin-3 (SL-3) (ST3) antagonist
17 P39900_097 P39900 Macrophage metalloelastase (MME) inhibitor IC50(nM) = 5.0
18 P09238_097 P09238 Stromelysin-2 (SL-2) (EC antagonist IC50(nM) = 69.0
19 Q9H239_097 Q9H239 Matrix metalloproteinase-28 (MMP-28) inhibitor
20 O60882_097 O60882 Matrix metalloproteinase-20 (MMP-20) inhibitor IC50(nM) = 10000.0
21 Q9UNA0_097 Q9UNA0 A disintegrin and n/a IC50(nM) = 10000.0
22 O75900_097 O75900 Matrix metalloproteinase-23 (MMP-23) inhibitor
23 Q9Y5R2_097 Q9Y5R2 Matrix metalloproteinase-24 (MMP-24) inhibitor IC50(nM) = 10000.0
24 Q8N119_097 Q8N119 Matrix metalloproteinase-21 (MMP-21) inhibitor
25 Q9H306_097 Q9H306 Matrix metalloproteinase-27 (MMP-27) inhibitor
26 P22894_097 P22894 Neutrophil collagenase (EC inhibitor IC50(nM) = 0.47