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Ligand · G2X

G2X · 6-[2,6-bis(fluoranyl)-4-[3-(methylamino) propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

G2X, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino) propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (C18 H18 Cl F5 N6 O, 464.8 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
G2X
Formula
C18 H18 Cl F5 N6 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

G2X in 4 structures; the first of them:

  • 7CLD · Crystal structure of T2R-TTL-Cevipabulin complex · G2X B506 · binds VAL175, ASP177, ASN204, GLU205, TYR208, ASP209, ARG213, PRO220 and 11 more
  • 7DP8 · Crystal structure of T2R-TTL-Cevipabulin-eribulin complex · G2X C601 · binds VAL175, SER176, ASP177, ASN204, GLU205, TYR208, ASP209, ARG213 and 12 more
  • 7CLD · Crystal structure of T2R-ttl-cevipabulin complex · G2X B506 · binds VAL175, ASP177, ASN204, GLU205, TYR208, ASP209, ARG213, PRO220 and 10 more
  • 7DP8 · Crystal structure of T2R-ttl-cevipabulin-eribulin complex · G2X C601 · binds VAL175, ASP177, ASN204, GLU205, TYR208, ASP209, ARG213, PRO220 and 10 more

Residues it binds most

TYR 8, VAL 8, ASN 8, ASP 8, LEU 8, PRO 8, THR 8, ARG 8, GLU 8, SER 5 (residue and the binding sites it lines).

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • 6K9 · (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)
  • GOL · Glycerol

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