Covpdb









Ligand
Ligand Name:   methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone
Ligand Type:   peptide-like
Ligand ID:   COVPDB498 PubChem:   10390162
Synonym(s):  
  •   meosuc-ala-ala-pro-ala-chloromethylketone
  • meosuc-ala-ala-pro-ala-cmk
  • msack
  • chebi:83802
  • methoxysuccinyl-ala-ala-pro-ala chloromethyl ketone
  • meosuc-aapa-cmk
  • elastase inhibitor ii
  • methyl 4-[[(2s)-1-[[(2s)-1-[(2s)-2-[[(2s)-4-chloro-3-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
  • chembl3219678
  • meosuc-ala-ala-pro-ala-ch2cl
  • mfcd00238296
  • zinc15722012
  • q27157242
  • [n-(4-methoxy-4-oxobutyryl)-ala-ala-pro-ala-]chloromethane
  • methyl 4-((s)-1-((s)-1-((s)-2-((s)-4-chloro-3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-ylamino)-1-oxopropan-2-ylamino)-4-oxobutanoate
  • n-(4-methoxy-4-oxobutanoyl)-l-alanyl-l-alanyl-n-[(2s)-4-chloro-3-oxobutan-2-yl]-l-prolinamide
show 15 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3219678
Canonical SMILES:   COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)CCl
Standard InChI:   InChI=1S/C20H31ClN4O7/c1-11(15(26)10-21)23-19(30)14-6-5-9-25(14)20(31)13(3)24-18(29)12(2)22-16(27)7-8-17(28)32-4/h11-14H,5-10H2,1-4H3,(H,22,27)(H,23,30)(H,24,29)/t11-,12-,13-,14-/m0/s1
Molecular Formula:   C20H31ClN4O7 Mol. Weight:   474.18814 logP:   -0.7474
HBD:   3 HBA:   7
#Rotatable Bonds:   11 TPSA:   150.98

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Neutrophil elastase P08246 (ELNE_HUMAN) Homo sapiens (Human) 1HNE MSU
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-
SHOW
Chymase 2 O70164 (O70164_MESAU) Mesocricetus auratus (Golden hamster) 2RDL ALV
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-
SHOW
Proteinase K P06873 (PRTK_PARAQ) Parengyodontium album (Tritirachium album) 3PRK MSU
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SHOW