Ligand |
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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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