Ligand

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Ligand Name:   3,5-dimethylpyrazin-2(1H)-one
HET ID:   QOS PubChem:   13123639
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1nc(C)c[nH]c1=O
Standard InChI:   InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)
Molecular Formula:   C6H8N2O Mol. Weight:   124.14052 Heavy Atoms:   9
Charge:   0 Is Chiral:   False logP:   0.3867
HBD:   1 HBA:   2 TPSA:   45.75
#Bonds:   10 #Rotatable Bonds:   0 Shape Complexity:   0.33333334
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Helix-turn-helix transcriptional regulator A0A0F0AZW0 (A0A0F0AZW0_VIBCL) Vibrio cholerae 6UGL
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