Ligand
Ligand Name:   PCM-0102153
Ligand Type:   non-polymer
Ligand ID:   COVPDB970 PubChem:   7131279
Synonym(s):  
  •   benzyl n-(2-chloroacetyl)carbamate
  • 16001-64-2
  • benzyl (2-chloroacetyl)carbamate
  • schembl11071727
  • dtxsid00427910
  • zinc4218690
  • akos000118404
  • mcule-6200942107
  • ne25988
  • en300-14987
  • carbamic acid, n-(2-chloroacetyl)-, phenylmethyl ester
show 10 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)NC(=O)OCc1ccccc1
Standard InChI:   InChI=1S/C10H10ClNO3/c11-6-9(13)12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13,14)
Molecular Formula:   C10H10ClNO3 Mol. Weight:   227.03493 logP:   1.6782
HBD:   1 HBA:   3
#Rotatable Bonds:   3 TPSA:   55.4

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) 5QIP J51
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