Covpdb









Ligand
Ligand Name:   Dihydroeponemycin
Ligand Type:   non-polymer
Ligand ID:   COVPDB330 PubChem:   10092400
Synonym(s):  
  •   schembl13523649
  • dtxsid80435518
  • dihydroeponemycin, >=98% (hplc)
  • zinc26986925
  • ncgc00389341-01
show 4 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)CCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(CO1)CO
Standard InChI:   InChI=1S/C20H36N2O6/c1-13(2)7-5-6-8-17(25)21-16(10-23)19(27)22-15(9-14(3)4)18(26)20(11-24)12-28-20/h13-16,23-24H,5-12H2,1-4H3,(H,21,25)(H,22,27)/t15-,16-,20+/m0/s1
Molecular Formula:   C20H36N2O6 Mol. Weight:   400.25732 logP:   0.5412
HBD:   4 HBA:   6
#Rotatable Bonds:   14 TPSA:   128.26

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Proteasome subunit beta type-7 Q99436 (PSB7_HUMAN) Homo sapiens (Human) 5LF1 6VC
-
-
SHOW