2026-08-22_00000293
|
ligand
|
9I84
Structure of Mcl-1 complex with small molecule inhibitor;
X-ray diffraction 2.01Å
Protein #1
170 residues (89% resolved)
Raw Sequence ...
MHHHHHHLVPRGSEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGG
Canonical Sequence ...
MHHHHHHLVPRGSEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGG
Non polymer #2
A1I06
InChI=1S/C25H24ClN3O3S/c1-4-20-21(16-9-7-10-17(26)14(16)2)22-23(27-13-28-24(22)33-20)29-18(25(30)31)12-15-8-5-6-11-19(15)32-3/h5-11,13,18H,4,12H2,1-3H3,(H,30,31)(H,27,28,29)/t18-/m1/s1
InChI=1S/C25H24ClN3O3S/c1-4-20-21(16-9-7-10-17(26)14(16)2)22-23(27-13-28-24(22)33-20)29-18(25(30)31)12-15-8-5-6-11-19(15)32-3/h5-11,13,18H,4,12H2,1-3H3,(H,30,31)(H,27,28,29)/t18-/m1/s1
SMILES: CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3OC)C(=O)O)c4cccc(c4C)Cl
CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3OC)C(=O)O)c4cccc(c4C)Cl
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%