Ligand Download |
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Ligand Name: S-[(2E,6E,10E)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate | ||
HET ID: AG8 | PubChem: 51346763 | |
DrugBank: - | ChEMBL: CHEMBL1738763 | |
Canonical SMILES: CN(CCC/C(=C/CC/C(=C/CC/C(=C/CS[P@](=O)(OP(=O)(O)O)O)/C)/C)/C)C | ||
Standard InChI: InChI=1S/C19H37NO6P2S/c1-17(9-6-11-18(2)13-8-15-20(4)5)10-7-12-19(3)14-16-29-28(24,25)26-27(21,22)23/h10-11,14H,6-9,12-13,15-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b17-10+,18-11+,19-14+ | ||
Molecular Formula: C19H37NO6P2S | Mol. Weight: 469.5127 | Heavy Atoms: 29 |
Charge: 0 | Is Chiral: False | logP: 5.6704 |
HBD: 3 | HBA: 8 | TPSA: 152.22 |
#Bonds: 28 | #Rotatable Bonds: 15 | Shape Complexity: 0.68421054 |
Stereocomplexity: 0.05263158 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Ent-copalyl diphosphate synthase, chloroplastic | Q38802 (KSA_ARATH) | Arabidopsis thaliana | 3PYA |
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