Ligand

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Ligand Name:   SPHINGOSINE
HET ID:   SPH PubChem:   444299
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCCCCCCCCCCC=CC(C(CO)N)O
Standard InChI:   InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3
Molecular Formula:   C18H37NO2 Mol. Weight:   299.49188 Heavy Atoms:   21
Charge:   0 Is Chiral:   True logP:   4.6245
HBD:   3 HBA:   3 TPSA:   66.48
#Bonds:   20 #Rotatable Bonds:   15 Shape Complexity:   0.8888889
Stereocomplexity:   0.11111111
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Genome polyprotein Q9QF31 (POLG_CX16T) Coxsackievirus A16 6SMG
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SHOW
Genome polyprotein Q9QF31 (POLG_CX16T) Coxsackievirus A16 6LHP
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SHOW
Genome polyprotein Q9QF31 (POLG_CX16T) Coxsackievirus A16 6LHQ
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SHOW
Genome polyprotein Q9QF31 (POLG_CX16T) Coxsackievirus A16 6SNW
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SHOW