Covpdb









Ligand
Ligand Name:   2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
Ligand Type:   non-polymer
Ligand ID:   COVPDB776 PubChem:   2776794
Synonym(s):  
  •   53440-32-7
  • 2-(1,4,5,6-tetrahydro-2-pyrimidinyl)benzenethiol
  • 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzene-1-thiol
  • 4a
  • 6-(1,3-diazinan-2-ylidene)cyclohexa-2,4-diene-1-thione
  • benzenethiol,2-(1,4,5,6-tetrahydro-2-pyrimidinyl)-
  • schembl4298620
  • chembl3974304
  • dtxsid40420763
  • zinc168927
  • 5095ae
  • mfcd00052612
  • sbb091492
  • zinc38167359
  • akos005070320
  • mcule-3358991901
  • vz23052
  • db-019356
  • ft-0640161
  • 3x-0852
  • 2-(2-mercaptophenyl)-1,4,5,6-tetrahydropyrimidine
  • j-505299
  • 2-(1,4,5,6-tetrahydro-pyrimidin-2-yl)-benzenethiol
  • 2-(3,4,5,6-tetrahydropyrimidin-2-yl)benzene-1-thiol
  • 2-(1,4,5,6-tetrahydro-2-pyrimidinyl)benzenethiol, aldrichcpr
  • 6-(tetrahydropyrimidin-2(1h)-ylidene)cyclohexa-2,4-diene-1-thione
  • f0z
show 26 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3974304
Canonical SMILES:   Sc1ccccc1C1=NCCCN1
Standard InChI:   InChI=1S/C10H12N2S/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
Molecular Formula:   C10H12N2S Mol. Weight:   192.07211 logP:   1.7152
HBD:   2 HBA:   3
#Rotatable Bonds:   1 TPSA:   24.39

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Histone deacetylase-like amidohydrolase Q70I53 (HDAH_ALCSD) Alcaligenes sp. (strain DSM 11172) (Bordetella sp. (strain FB188)) 6GJK F0Z
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