Covpdb









Ligand
Ligand Name:   PCM-0103007
Ligand Type:   non-polymer
Ligand ID:   COVPDB981 PubChem:   52908093
Synonym(s):  
  •   2-chloro-n-(3-phenylprop-2-yn-1-yl)acetamide
  • 1311316-17-2
  • zinc62132648
  • akos033429340
  • ne54841
  • en300-28330
  • z1562121256
show 6 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)NCC#Cc1ccccc1
Standard InChI:   InChI=1S/C11H10ClNO/c12-9-11(14)13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,8-9H2,(H,13,14)
Molecular Formula:   C11H10ClNO Mol. Weight:   207.04509 logP:   1.3931
HBD:   1 HBA:   1
#Rotatable Bonds:   2 TPSA:   29.1

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) 5QIX J5V
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