Ligand
Ligand Name:   PCM-0102305
Ligand Type:   non-polymer
Ligand ID:   COVPDB973 PubChem:   25323827
Synonym(s):  
  •   2-chloro-n-[(4-fluoro-3-methylphenyl)methyl]acetamide
  • zinc12505723
  • akos008099243
  • mcule-6419767052
  • en300-28336
  • 1050909-67-5
show 5 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Fc1ccc(cc1C)CNC(=O)CCl
Standard InChI:   InChI=1S/C10H11ClFNO/c1-7-4-8(2-3-9(7)12)6-13-10(14)5-11/h2-4H,5-6H2,1H3,(H,13,14)
Molecular Formula:   C10H11ClFNO Mol. Weight:   215.05132 logP:   1.98912
HBD:   1 HBA:   1
#Rotatable Bonds:   3 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) 5QIR J5D
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