2026-09-26_00000038
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ligand
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13GK
CDK2 in complex with INCB125496;
X-ray diffraction 1.44Å
Protein #1
298 residues (96% resolved)
Raw Sequence ...
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Canonical Sequence ...
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Non polymer #2
A1DFY
InChI=1S/C24H27ClF3N7O2S/c1-38(36,37)35-9-5-17(6-10-35)31-23-29-12-18(24(26,27)28)22(32-23)20-14-34(15-30-20)21-4-3-16(11-19(21)25)13-33-7-2-8-33/h3-4,11-12,14-15,17H,2,5-10,13H2,1H3,(H,29,31,32)
InChI=1S/C24H27ClF3N7O2S/c1-38(36,37)35-9-5-17(6-10-35)31-23-29-12-18(24(26,27)28)22(32-23)20-14-34(15-30-20)21-4-3-16(11-19(21)25)13-33-7-2-8-33/h3-4,11-12,14-15,17H,2,5-10,13H2,1H3,(H,29,31,32)
SMILES: CS(=O)(=O)N1CCC(CC1)Nc2ncc(c(n2)c3cn(cn3)c4ccc(cc4Cl)CN5CCC5)C(F)(F)F
CS(=O)(=O)N1CCC(CC1)Nc2ncc(c(n2)c3cn(cn3)c4ccc(cc4Cl)CN5CCC5)C(F)(F)F
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
monomer
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Model
Reference
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