Ligand
Ligand Name:   O-[(R)-IPG] O-(p-nitrophenyl) hex-6-e
Ligand Type:   non-polymer
Ligand ID:   COVPDB1280 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC1(C)OC[C@H](O1)CO[P@](=O)(CCCCC=C)Oc2ccc([N+]([O-])=O)cc2
Standard InChI:   InChI=1S/C18H26NO7P/c1-4-5-6-7-12-27(22,24-14-17-13-23-18(2,3)25-17)26-16-10-8-15(9-11-16)19(20)21/h4,8-11,17H,1,5-7,12-14H2,2-3H3/t17-,27+/m0/s1
Molecular Formula:   C18H26NO7P Mol. Weight:   399.14468 logP:   4.6911
HBD:   0 HBA:   7
#Rotatable Bonds:   11 TPSA:   97.13

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Lipase EstA P37957 (ESTA_BACSU) Bacillus subtilis (strain 168) 1R4Z RIL
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