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Ligand · DJ8

DJ8 · 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17, 20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl) urea

DJ8, 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17, 20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl) urea (C25 H25 Cl N6 O3, 493.0 g/mol), in the MolNFT structures on…

Component
DJ8
Formula
C25 H25 Cl N6 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

DJ8 in 1 structure; the first of them:

  • 7QGP · STK10 (lok) bound to macrocycle CKJB51 · DJ8 A401 · binds LEU42, ASP44, PHE47, VAL50, ALA63, ILE67, TYR78, GLU81 and 10 more

Residues it binds most

ILE 1, ASP 1, GLU 1, LEU 1, PHE 1, VAL 1, ALA 1, ASN 1, CYS 1, GLY 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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