Ligand
Ligand Name:   (3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile
Ligand Type:   non-polymer
Ligand ID:   COVPDB142 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(=O)C[C@@H](CC#N)c1ccc(cc1)OC
Standard InChI:   InChI=1S/C13H15NO2/c1-10(15)9-12(7-8-14)11-3-5-13(16-2)6-4-11/h3-6,12H,7,9H2,1-2H3/t12-/m1/s1
Molecular Formula:   C13H15NO2 Mol. Weight:   217.11028 logP:   2.67158
HBD:   0 HBA:   3
#Rotatable Bonds:   5 TPSA:   50.09

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
retro-aldolase None (None) Saccharolobus solfataricus 4PA8 2K6
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