Ligand
Ligand Name:   PCM-0103050
Ligand Type:   non-polymer
Ligand ID:   COVPDB972 PubChem:   50988901
Synonym(s):  
  •   n-[(4-bromothiophen-2-yl)methyl]-2-chloroacetamide
  • 1269151-62-3
  • zinc60273327
  • akos010026524
  • ne49916
  • en300-48190
  • z1562126674
show 6 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)NCc1cc(Br)cs1
Standard InChI:   InChI=1S/C7H7BrClNOS/c8-5-1-6(12-4-5)3-10-7(11)2-9/h1,4H,2-3H2,(H,10,11)
Molecular Formula:   C7H7BrClNOS Mol. Weight:   266.91202 logP:   2.3656
HBD:   1 HBA:   2
#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) 5QIQ J5A
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