Covpdb









Ligand
Ligand Name:   PCM-0103011
Ligand Type:   non-polymer
Ligand ID:   COVPDB976 PubChem:   54592437
Synonym(s):  
  •   2-chloro-n-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide
  • 1334148-02-5
  • 2-chloro-n-(3-(3-(trifluoromethyl)phenyl)prop-2-yn-1-yl)acetamide
  • zinc68581007
  • akos024842701
  • ne32123
  • en300-28351
  • f6273-2844
  • z1562121502
show 8 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   FC(F)(F)c1cccc(c1)C#CCNC(=O)CCl
Standard InChI:   InChI=1S/C12H9ClF3NO/c13-8-11(18)17-6-2-4-9-3-1-5-10(7-9)12(14,15)16/h1,3,5,7H,6,8H2,(H,17,18)
Molecular Formula:   C12H9ClF3NO Mol. Weight:   275.03247 logP:   2.4119
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) 5QIU J5M
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