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Ligand · XNI

XNI · (11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

XNI, (11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (C30 H29 Cl N2 O3, 501.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
XNI
Formula
C30 H29 Cl N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

XNI in 2 structures; the first of them:

  • 3CSO · HCV Polymerase in complex with a 1,5 Benzodiazepine inhibitor · XNI A579 · binds PHE193, PRO197, ARG200, ASN316, ASP319, SER365, CYS366, SER367 and 11 more
  • 3CSO · HCV polymerase in complex with a 1,5 benzodiazepine inhibitor · XNI A579 · binds PHE193, PRO197, ARG200, ASN316, ASP319, SER365, CYS366, SER367 and 11 more

Residues it binds most

SER 4, ASN 4, GLY 4, TYR 4, ARG 4, ASP 4, CYS 4, GLN 4, ILE 4, LEU 4 (residue and the binding sites it lines).

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