Ligand
Ligand Name:   PCM-0102500
Ligand Type:   non-polymer
Ligand ID:   COVPDB974 PubChem:   566661
Synonym(s):  
  •   59826-53-8
  • 2-chloro-n-(5-methylisoxazol-3-yl)acetamide
  • 2-chloro-n-(5-methyl-isoxazol-3-yl)-acetamide
  • 2-chloro-n-(5-methyl-1,2-oxazol-3-yl)acetamide
  • 2-chloro-n-(5-methyl-3-isoxazolyl)acetamide
  • n1-(5-methyl-3-isoxazolyl)-2-chloroacetamide
  • acetamide, 2-chloro-n-(5-methyl-3-isoxazolyl)-
  • mls000719333
  • schembl4866373
  • chembl1545480
  • chebi:92840
  • dtxsid90340705
  • hms2665m08
  • albb-002390
  • zinc2944776
  • 6443ae
  • bbl004566
  • mfcd03001122
  • sbb010570
  • stk208705
  • 3-(chloroacetamido)-5-methylisoxazole
  • 3-chloroacetylamino-5-methyl isoxazole
  • akos000264154
  • fs-5663
  • mcule-3114783007
  • smr000290870
  • upcmld0enat0513-6581:001
  • ab0167322
  • db-028791
  • ft-0726161
  • st45152248
  • en300-04999
  • 2-chloro-n-(5-methyl-isoxazol-3-yl)acetamide
  • w-9937
  • 2-chloro-n-(5-methyl-3-isoxazolyl)acetamide #
  • brd-k48576794-001-04-0
  • q27164598
  • z56883164
  • f0917-7556
  • f1408-0183
show 39 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1545480
Canonical SMILES:   Cc1cc(no1)NC(=O)CCl
Standard InChI:   InChI=1S/C6H7ClN2O2/c1-4-2-5(9-11-4)8-6(10)3-7/h2H,3H2,1H3,(H,8,9,10)
Molecular Formula:   C6H7ClN2O2 Mol. Weight:   174.0196 logP:   1.16032
HBD:   1 HBA:   3
#Rotatable Bonds:   2 TPSA:   55.13

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) 5QIS J5G
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