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Ligand · X1V

X1V · 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3, 6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide

X1V, 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3, 6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide (C26 H32 Cl N5 O5 S3, 626.2 g/mol), in the MolNFT…

Component
X1V
Formula
C26 H32 Cl N5 O5 S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

X1V in 2 structures; the first of them:

  • 6Z48 · Crystal structure of Thrombin in complex with macrocycle X1vE · X1V H302 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 15 more
  • 6Z48 · Crystal structure of thrombin in complex with macrocycle X1VE · X1V H302 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more

Residues it binds most

GLY 8, GLU 8, SER 8, CYS 8, TRP 8, TYR 8, ASN 8, ASP 8, ALA 8, HIS 8 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion

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