Ligand · AWJ
AWJ · (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
AWJ, (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol (C22 H25 F N6 O3 S, 472.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4…
- Component
- AWJ
- Formula
- C22 H25 F N6 O3 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
AWJ in 4 structures; the first of them:
- 7R7R · Structure of Human Anaplastic Lymphoma Kinase Domain in complex with… · AWJ A1501 · binds LEU1122, GLY1123, HIS1124, VAL1130, ALA1148, LYS1150, VAL1180, LEU1196 and 13 more
- 7Z5X · ROS1 with AstraZeneca ligand 2 · AWJ A2301 · binds LEU1951, GLY1952, SER1953, VAL1959, ALA1978, LYS1980, LEU2010, LEU2026 and 12 more
- 7R7R · Structure of human anaplastic lymphoma kinase domain in complex with… · AWJ A1501 · binds LEU1122, GLY1123, HIS1124, VAL1130, ALA1148, LEU1196, GLU1197, LEU1198 and 9 more
- 7Z5X · ROS1 with astrazeneca ligand 2 · AWJ A2301 · binds LEU1951, GLY1952, VAL1959, ALA1978, LEU2010, LEU2026, GLU2027, LEU2028 and 9 more
Residues it binds most
LEU 6, GLY 6, ASP 6, VAL 6, ALA 6, ARG 6, ASN 6, GLU 6, MET 6, SER 5 (residue and the binding sites it lines).
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