Ligand
Ligand Name:   FPyne
Ligand Type:   non-polymer
Ligand ID:   COVPDB1303 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCO[P@@](=O)(F)CCCCCCCCCCOC(=O)NCCCCCC#C
Standard InChI:   InChI=1S/C20H37FNO4P/c1-3-5-6-11-14-17-22-20(23)25-18-15-12-9-7-8-10-13-16-19-27(21,24)26-4-2/h1H,4-19H2,2H3,(H,22,23)/t27-/m1/s1
Molecular Formula:   C20H37FNO4P Mol. Weight:   405.24442 logP:   6.2261
HBD:   1 HBA:   4
#Rotatable Bonds:   18 TPSA:   64.63

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Evolved variant of computationally designed serine hydrolase OSH55.4_H1 None (None) synthetic construct 4JLL SEF
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