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Preparing the first usable ligand.

WARHEAD COMMAND CENTER: 2898ac79 · SYK

CG4

4pv0 (CHAIN A)

60.5% EXPOSED

SASA atoms

23 / 38

% buried

39.5%

SASA

197.4Å²

50J

5c27 (CHAIN A)

59.0% EXPOSED

SASA atoms

23 / 39

% buried

41.0%

SASA

189.0Å²

0VE

4fyn (CHAIN A)

58.6% EXPOSED

SASA atoms

17 / 29

% buried

41.4%

SASA

188.7Å²

50H

5c26 (CHAIN A)

55.2% EXPOSED

SASA atoms

16 / 29

% buried

44.8%

SASA

125.4Å²

CG9

4puz (CHAIN A)

54.8% EXPOSED

SASA atoms

17 / 31

% buried

45.2%

SASA

169.1Å²

CG9

4puz (CHAIN B)

54.8% EXPOSED

SASA atoms

17 / 31

% buried

45.2%

SASA

160.0Å²

R6D

6vov (CHAIN B)

54.5% EXPOSED

SASA atoms

18 / 33

% buried

45.5%

SASA

190.7Å²

GDK

6hm6 (CHAIN A)

52.4% EXPOSED

SASA atoms

11 / 21

% buried

47.6%

SASA

110.5Å²

5JG

6zcr (CHAIN A)

51.7% EXPOSED

SASA atoms

15 / 29

% buried

48.3%

SASA

126.0Å²

5JG

6zcu (CHAIN A)

51.7% EXPOSED

SASA atoms

15 / 29

% buried

48.3%

SASA

126.0Å²

R6D

6vov (CHAIN A)

51.5% EXPOSED

SASA atoms

17 / 33

% buried

48.5%

SASA

200.7Å²

0VF

4fyo (CHAIN A)

48.6% EXPOSED

SASA atoms

18 / 37

% buried

51.4%

SASA

167.9Å²

6ZG

5lma (CHAIN A)

47.8% EXPOSED

SASA atoms

11 / 23

% buried

52.2%

SASA

107.2Å²

X5G

5ghv (CHAIN A)

45.7% EXPOSED

SASA atoms

16 / 35

% buried

54.3%

SASA

199.1Å²

3RT

4wnm (CHAIN A)

45.5% EXPOSED

SASA atoms

15 / 33

% buried

54.5%

SASA

164.4Å²

4DF

4yjo (CHAIN A)

45.2% EXPOSED

SASA atoms

14 / 31

% buried

54.8%

SASA

101.4Å²

057

3fqh (CHAIN A)

44.4% EXPOSED

SASA atoms

12 / 27

% buried

55.6%

SASA

128.9Å²

057

3fqh (CHAIN B)

44.4% EXPOSED

SASA atoms

12 / 27

% buried

55.6%

SASA

150.4Å²

8OR

5y5t (CHAIN A)

43.3% EXPOSED

SASA atoms

13 / 30

% buried

56.7%

SASA

139.2Å²

0VG

4fz6 (CHAIN A)

42.9% EXPOSED

SASA atoms

12 / 28

% buried

57.1%

SASA

145.9Å²

55U

5cxz (CHAIN A)

41.7% EXPOSED

SASA atoms

10 / 24

% buried

58.3%

SASA

138.9Å²

77V

5t68 (CHAIN B)

41.7% EXPOSED

SASA atoms

10 / 24

% buried

58.3%

SASA

141.0Å²

585

3fqs (CHAIN A)

41.2% EXPOSED

SASA atoms

14 / 34

% buried

58.8%

SASA

204.5Å²

1B4

4i0r (CHAIN A)

40.7% EXPOSED

SASA atoms

11 / 27

% buried

59.3%

SASA

136.4Å²

6ZF

5lmb (CHAIN B)

40.7% EXPOSED

SASA atoms

11 / 27

% buried

59.3%

SASA

134.3Å²

X5G

5ghv (CHAIN B)

40.0% EXPOSED

SASA atoms

14 / 35

% buried

60.0%

SASA

169.9Å²

55M

5cxh (CHAIN A)

39.3% EXPOSED

SASA atoms

11 / 28

% buried

60.7%

SASA

75.3Å²

GDH

6hm7 (CHAIN A)

39.3% EXPOSED

SASA atoms

11 / 28

% buried

60.7%

SASA

99.6Å²

X3G

4xg3 (CHAIN B)

38.2% EXPOSED

SASA atoms

13 / 34

% buried

61.8%

SASA

145.8Å²

477

3vf9 (CHAIN A)

38.1% EXPOSED

SASA atoms

8 / 21

% buried

61.9%

SASA

132.2Å²

3YT

4rx9 (CHAIN A)

37.9% EXPOSED

SASA atoms

11 / 29

% buried

62.1%

SASA

102.8Å²

8OU

5y5u (CHAIN B)

37.9% EXPOSED

SASA atoms

11 / 29

% buried

62.1%

SASA

114.0Å²

77V

5t68 (CHAIN A)

37.5% EXPOSED

SASA atoms

9 / 24

% buried

62.5%

SASA

132.9Å²

6ZF

5lmb (CHAIN A)

37.0% EXPOSED

SASA atoms

10 / 27

% buried

63.0%

SASA

110.5Å²

X4G

4xg4 (CHAIN A)

36.4% EXPOSED

SASA atoms

12 / 33

% buried

63.6%

SASA

178.8Å²

S19

3srv (CHAIN A)

36.0% EXPOSED

SASA atoms

9 / 25

% buried

64.0%

SASA

83.3Å²

0K0

4dfl (CHAIN A)

35.7% EXPOSED

SASA atoms

10 / 28

% buried

64.3%

SASA

105.8Å²

7CU

5tiu (CHAIN A)

34.8% EXPOSED

SASA atoms

8 / 23

% buried

65.2%

SASA

79.1Å²

3YV

4rx7 (CHAIN A)

34.5% EXPOSED

SASA atoms

10 / 29

% buried

65.5%

SASA

75.2Å²

X7G

4xg7 (CHAIN A)

34.5% EXPOSED

SASA atoms

10 / 29

% buried

65.5%

SASA

126.2Å²

8OU

5y5u (CHAIN A)

34.5% EXPOSED

SASA atoms

10 / 29

% buried

65.5%

SASA

116.8Å²

3YT

8x5k (CHAIN A)

34.5% EXPOSED

SASA atoms

10 / 29

% buried

65.5%

SASA

67.8Å²

FPW

3tuc (CHAIN A)

34.2% EXPOSED

SASA atoms

13 / 38

% buried

65.8%

SASA

82.0Å²

3YX

4rx8 (CHAIN A)

33.3% EXPOSED

SASA atoms

9 / 27

% buried

66.7%

SASA

71.1Å²

4DQ

4yjt (CHAIN A)

32.7% EXPOSED

SASA atoms

16 / 49

% buried

67.3%

SASA

113.2Å²

4DO

4yju (CHAIN A)

32.6% EXPOSED

SASA atoms

15 / 46

% buried

67.4%

SASA

113.2Å²

QFB

6zcq (CHAIN A)

32.4% EXPOSED

SASA atoms

11 / 34

% buried

67.6%

SASA

113.1Å²

QFQ

6zcx (CHAIN A)

32.4% EXPOSED

SASA atoms

11 / 34

% buried

67.6%

SASA

141.1Å²

QR7

8bi2 (CHAIN A)

32.4% EXPOSED

SASA atoms

11 / 34

% buried

67.6%

SASA

107.8Å²

P5C

3fqe (CHAIN A)

32.0% EXPOSED

SASA atoms

8 / 25

% buried

68.0%

SASA

66.3Å²

7KG

5tr6 (CHAIN A)

32.0% EXPOSED

SASA atoms

8 / 25

% buried

68.0%

SASA

63.0Å²

4DT

4yjv (CHAIN A)

31.6% EXPOSED

SASA atoms

18 / 57

% buried

68.4%

SASA

125.9Å²

0SB

4f4p (CHAIN A)

31.0% EXPOSED

SASA atoms

9 / 29

% buried

69.0%

SASA

77.1Å²

0JE

3vf8 (CHAIN A)

30.8% EXPOSED

SASA atoms

8 / 26

% buried

69.2%

SASA

143.1Å²

0XF

4gfg (CHAIN A)

30.8% EXPOSED

SASA atoms

8 / 26

% buried

69.2%

SASA

90.5Å²

7KF

5tt7 (CHAIN A)

30.8% EXPOSED

SASA atoms

8 / 26

% buried

69.2%

SASA

92.8Å²

0K1

4dfn (CHAIN A)

30.3% EXPOSED

SASA atoms

10 / 33

% buried

69.7%

SASA

77.8Å²

LUE

6ssb (CHAIN A)

30.3% EXPOSED

SASA atoms

10 / 33

% buried

69.7%

SASA

131.1Å²

X6G

4xg6 (CHAIN A)

29.6% EXPOSED

SASA atoms

8 / 27

% buried

70.4%

SASA

88.0Å²

4MG

4rss (CHAIN A)

29.0% EXPOSED

SASA atoms

9 / 31

% buried

71.0%

SASA

131.1Å²

X9G

4xg9 (CHAIN A)

29.0% EXPOSED

SASA atoms

9 / 31

% buried

71.0%

SASA

89.3Å²

X9G

4xg9 (CHAIN B)

29.0% EXPOSED

SASA atoms

9 / 31

% buried

71.0%

SASA

107.5Å²

685

3emg (CHAIN A)

28.6% EXPOSED

SASA atoms

8 / 28

% buried

71.4%

SASA

116.3Å²

4DN

4yjs (CHAIN A)

28.1% EXPOSED

SASA atoms

9 / 32

% buried

71.9%

SASA

110.5Å²

QFE

6zcs (CHAIN A)

28.1% EXPOSED

SASA atoms

9 / 32

% buried

71.9%

SASA

101.4Å²

2X6

4px6 (CHAIN A)

27.6% EXPOSED

SASA atoms

8 / 29

% buried

72.4%

SASA

82.1Å²

QF8

6zcy (CHAIN A)

27.3% EXPOSED

SASA atoms

9 / 33

% buried

72.7%

SASA

138.8Å²

0VH

4fz7 (CHAIN A)

26.9% EXPOSED

SASA atoms

7 / 26

% buried

73.1%

SASA

57.9Å²

1B5

4i0s (CHAIN A)

26.9% EXPOSED

SASA atoms

7 / 26

% buried

73.1%

SASA

82.6Å²

X3G

4xg3 (CHAIN A)

26.5% EXPOSED

SASA atoms

9 / 34

% buried

73.5%

SASA

142.9Å²

STU

1xbc (CHAIN A)

25.7% EXPOSED

SASA atoms

9 / 35

% buried

74.3%

SASA

75.5Å²

QDZ

6zc0 (CHAIN A)

25.0% EXPOSED

SASA atoms

7 / 28

% buried

75.0%

SASA

118.3Å²

4DJ

4yjr (CHAIN A)

24.5% EXPOSED

SASA atoms

13 / 53

% buried

75.5%

SASA

113.4Å²

S19

3srv (CHAIN B)

24.0% EXPOSED

SASA atoms

6 / 25

% buried

76.0%

SASA

72.6Å²

X8G

4xg8 (CHAIN A)

23.3% EXPOSED

SASA atoms

7 / 30

% buried

76.7%

SASA

108.4Å²

4DL

4yjp (CHAIN A)

22.6% EXPOSED

SASA atoms

7 / 31

% buried

77.4%

SASA

87.6Å²

4DK

4yjq (CHAIN A)

21.4% EXPOSED

SASA atoms

12 / 56

% buried

78.6%

SASA

61.6Å²

55Y

5cy3 (CHAIN A)

20.8% EXPOSED

SASA atoms

5 / 24

% buried

79.2%

SASA

56.4Å²

1B6

4i0t (CHAIN A)

20.0% EXPOSED

SASA atoms

5 / 25

% buried

80.0%

SASA

45.5Å²

X8G

4xg8 (CHAIN C)

20.0% EXPOSED

SASA atoms

6 / 30

% buried

80.0%

SASA

88.7Å²

QFK

6zcp (CHAIN A)

20.0% EXPOSED

SASA atoms

6 / 30

% buried

80.0%

SASA

88.1Å²

XFB

8wyw (CHAIN A)

20.0% EXPOSED

SASA atoms

7 / 35

% buried

80.0%

SASA

93.8Å²

FPU

3tub (CHAIN A)

19.0% EXPOSED

SASA atoms

11 / 58

% buried

81.0%

SASA

53.9Å²

FPX

3tud (CHAIN A)

17.9% EXPOSED

SASA atoms

7 / 39

% buried

82.1%

SASA

75.1Å²

XFB

8wyw (CHAIN B)

17.1% EXPOSED

SASA atoms

6 / 35

% buried

82.9%

SASA

62.8Å²

A00

8rrq (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A01

8rrz (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A02

8xq0 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A02

8xq0 (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A02

8xq0 (CHAIN C)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A02

8xq0 (CHAIN D)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A04

8xq1 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A04

8xq1 (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A03

8xq2 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A03

8xq2 (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

2D LIGAND MAP

GREEN (15–24 Å²)

YELLOW (24–34 Å²)

RED (≥34 Å²)

Atoms w/ SASA below 15 Å² are not highlighted

Highlighted atoms show linkable attachment sites

CHEMICAL PROPERTIES

QED: —

poor moderate good

Drug-likeness filters

Drug-likeness heuristics (informative, not absolute)