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Ligand · JJI

JJI · (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione

JJI, (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (C24 H20 N8 O7 S5, 692.8…

Component
JJI
Formula
C24 H20 N8 O7 S5
Class
ligand
Structures
1
PDB entries
1

Binding sites

JJI in 1 structure; the first of them:

  • 8PEE · ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC · JJI A1401 · binds ILE214, ILE217, SER218, LEU221, MET295, ALA298, PHE299, ILE302 and 13 more

Residues it binds most

PHE 1, ALA 1, ILE 1, GLN 1, SER 1, TYR 1, VAL 1, CYS 1, LEU 1, MET 1 (residue and the binding sites it lines).

Found with

  • JIZ · (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
  • Y01 · Cholesterol hemisuccinate

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