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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