Ligand
Ligand Name:   Cov_HetLib030
Ligand Type:   non-polymer
Ligand ID:   COVPDB1428 PubChem:   2757979
Synonym(s):  
  •   2-cyanopyrimidine
  • 14080-23-0
  • pyrimidine-2-carbonitrile
  • 2-pyrimidinecarbonitrile
  • 2-cyano-pyrimidine
  • 2-cyano pyrimidine
  • 2-pyrimidinecarbonitrile, 98%
  • cyanopyrimidine
  • provastatin
  • zlchem 283
  • pubchem7042
  • pyrimidin-2-carbonitrile
  • acmc-1boy6
  • schembl151679
  • 2-pyrimidinecarbonitrile, 97%
  • chembl3352946
  • dtxsid40864466
  • zlc0102
  • act01350
  • albb-006249
  • bcp27301
  • cs-d1157
  • ebd12976
  • hy-y0241
  • zinc2531032
  • anw-20587
  • mfcd00160513
  • s5611
  • sbb048115
  • stk503786
  • akos000279271
  • ac-1955
  • mcule-6290898514
  • pb27459
  • ps-9303
  • ncgc00185023-01
  • ak-44198
  • bp-10841
  • ab0008476
  • db-006101
  • am20080306
  • bb 0216629
  • ft-0601166
  • st50946654
  • en300-43565
  • a-1803
  • 080c230
  • q-200266
  • f2173-0037
  • z1201023047
show 49 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3352946
Canonical SMILES:   N#Cc1ncccn1
Standard InChI:   InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
Molecular Formula:   C5H3N3 Mol. Weight:   105.0327 logP:   0.34828
HBD:   0 HBA:   3
#Rotatable Bonds:   0 TPSA:   49.57

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) 5RHB USD
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