Ligand
Ligand Name:   Cov_HetLib053
Ligand Type:   non-polymer
Ligand ID:   COVPDB1427 PubChem:   564456
Synonym(s):  
  •   1h-imidazole-2-carbonitrile
  • 31722-49-3
  • imidazole, 2-cyano-
  • cyanoimidazole
  • 1h-imidazol-2-carbonitrile
  • 1h-imidazole-2-carbonitrile #
  • chembl4582852
  • dtxsid30340406
  • acn-c000724
  • anw-71487
  • mfcd08668415
  • zinc32241933
  • akos006237410
  • cs-w021330
  • mcule-5061160655
  • pb17552
  • ak-81383
  • as-59022
  • ab0069549
  • db-068510
  • ft-0648221
  • q-2291
  • a820962
  • z1404660426
show 23 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4582852
Canonical SMILES:   N#Cc1ncc[nH]1
Standard InChI:   InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)
Molecular Formula:   C4H3N3 Mol. Weight:   93.0327 logP:   0.28138
HBD:   1 HBA:   2
#Rotatable Bonds:   0 TPSA:   52.47

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 5RHC USA
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