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Ligand · 966

966 · [(1S,2R,3R,4R,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03, 8.013,17]nonadecan-8-yl] acetate

966, [(1S,2R,3R,4R,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03, 8.013,17]nonadecan-8-yl] acetate (C35 H49 N O9, 627.8 g/mol), in the MolNFT…

Component
966
Formula
C35 H49 N O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

966 in 2 structures; the first of them:

  • 7W77 · cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA · 966 D2021 · binds PHE377, MET380, THR381, GLN382, SER412, VAL416, ILE419, LEU420 and 11 more
  • 7W77 · Cryo-EM structure of human NAV1.3/BETA1/BETA2-bulleyaconitinea · 966 D2021 · binds PHE377, MET380, THR381, GLN382, SER412, VAL416, ILE419, LEU420 and 11 more

Residues it binds most

LEU 2, PHE 2, MET 2, VAL 2, ASN 2, CYS 2, GLN 2, GLY 2, ILE 2, SER 2 (residue and the binding sites it lines).

Found with

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
  • 9Z9 · (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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