2026-07-25_00000352

Protein #1 292 residues (100% resolved)

Raw Sequence ...

SHEQFRAALQLVVDPGDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQQRRELLFNEVVIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGGALTDIVTHTRMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLTHDGRVKLSDFGFCAQVSKEVPRRK(SEP)LVGTPYWMAPELISRLPYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLKAMKMIRDNLPPRLKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKAGPPASIVPLMRQNRTR

Canonical Sequence ...

SHEQFRAALQLVVDPGDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQQRRELLFNEVVIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGGALTDIVTHTRMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLTHDGRVKLSDFGFCAQVSKEVPRRKSLVGTPYWMAPELISRLPYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLKAMKMIRDNLPPRLKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKAGPPASIVPLMRQNRTR

Non polymer #2 A1MBG

InChI=1S/C28H28ClN5O3/c29-24-15-21(19-3-5-20(6-4-19)28(36)34-11-9-31-10-12-34)13-22-14-23(37-27(22)24)17-33-26(35)8-2-18-1-7-25(30)32-16-18/h1-8,13,15-16,23,31H,9-12,14,17H2,(H2,30,32)(H,33,35)/b8-2+/t23-/m0/s1

InChI=1S/C28H28ClN5O3/c29-24-15-21(19-3-5-20(6-4-19)28(36)34-11-9-31-10-12-34)13-22-14-23(37-27(22)24)17-33-26(35)8-2-18-1-7-25(30)32-16-18/h1-8,13,15-16,23,31H,9-12,14,17H2,(H2,30,32)(H,33,35)/b8-2+/t23-/m0/s1

SMILES: c1cc(ccc1c2cc3c(c(c2)Cl)O[C@@H](C3)CNC(=O)/C=C/c4ccc(nc4)N)C(=O)N5CCNCC5

c1cc(ccc1c2cc3c(c(c2)Cl)O[C@@H](C3)CNC(=O)/C=C/c4ccc(nc4)N)C(=O)N5CCNCC5

2026-07-25_00000352|ligand|9WDF

Canonical Sequence ...

SMILES: c1cc(ccc1c2cc3c(c(c2)Cl)O[C@@H](C3)CNC(=O)/C=C/c4ccc(nc4)N)C(=O)N5CCNCC5