Ligand

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Ligand Name:   (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate
HET ID:   L9Q PubChem:   23727970
DrugBank:   - ChEMBL:   CHEMBL1233945
Canonical SMILES:   CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC/C=CCCCCCCCC)CO[P@](=O)(OCCN)O
Standard InChI:   InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1
Molecular Formula:   C41H80NO8P Mol. Weight:   746.04956 Heavy Atoms:   51
Charge:   0 Is Chiral:   True logP:   12.533
HBD:   2 HBA:   9 TPSA:   144.19
#Bonds:   51 #Rotatable Bonds:   42 Shape Complexity:   0.902439
Stereocomplexity:   0.048780486
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Gamma-aminobutyric acid type B receptor subunit 1 Q9UBS5 (GABR1_HUMAN) Homo sapiens 6W2X
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