Ligand
Ligand Name:   PCM-0103080
Ligand Type:   non-polymer
Ligand ID:   COVPDB983 PubChem:   50988904
Synonym(s):  
  •   2-chloro-n-[(5-chlorothiophen-2-yl)methyl]acetamide
  • 1305712-19-9
  • zinc58033213
  • akos010025673
  • ne39698
  • en300-47371
  • z1562124024
show 6 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)NCc1ccc(Cl)s1
Standard InChI:   InChI=1S/C7H7Cl2NOS/c8-3-7(11)10-4-5-1-2-6(9)12-5/h1-2H,3-4H2,(H,10,11)
Molecular Formula:   C7H7Cl2NOS Mol. Weight:   222.96254 logP:   2.2565
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) 5QIZ J64
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