Covpdb









Ligand
Ligand Name:   PCM-0102954
Ligand Type:   non-polymer
Ligand ID:   COVPDB982 PubChem:   4848731
Synonym(s):  
  •   52093-13-7
  • dtxsid80406622
  • zinc4219012
  • akos001110569
  • mcule-5058980510
  • ne36949
  • en300-18806
  • sr-01000070194
  • sr-01000070194-1
show 8 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)NNC(=O)c1ccccc1Cl
Standard InChI:   InChI=1S/C9H8Cl2N2O2/c10-5-8(14)12-13-9(15)6-3-1-2-4-7(6)11/h1-4H,5H2,(H,12,14)(H,13,15)
Molecular Formula:   C9H8Cl2N2O2 Mol. Weight:   245.99628 logP:   1.3398
HBD:   2 HBA:   2
#Rotatable Bonds:   2 TPSA:   58.2

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Ubiquitin thioesterase OTUB2 Q96DC9 (OTUB2_HUMAN) Homo sapiens (Human) 5QIY J61
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