Loading Warhead Results
Checking molecular artifacts
Initializing results command center
Preparing the first usable ligand.
WARHEAD COMMAND CENTER: b41d8ae5 · BCL-2
IQ8
7y99 (CHAIN B)
100.0% EXPOSED
SASA atoms
20
/ 20
% buried
0.0%
SASA
364.3Ų
IQ8
7yb7 (CHAIN C)
100.0% EXPOSED
SASA atoms
20
/ 20
% buried
0.0%
SASA
328.1Ų
IQ8
7yb7 (CHAIN D)
100.0% EXPOSED
SASA atoms
20
/ 20
% buried
0.0%
SASA
319.8Ų
NTA
9o14 (CHAIN A)
89.5% EXPOSED
SASA atoms
17
/ 19
% buried
10.5%
SASA
206.1Ų
2PE
6o0k (CHAIN A)
75.0% EXPOSED
SASA atoms
21
/ 28
% buried
25.0%
SASA
396.3Ų
1XV
4lxd (CHAIN A)
66.7% EXPOSED
SASA atoms
32
/ 48
% buried
33.3%
SASA
296.1Ų
398
4aq3 (CHAIN E)
62.3% EXPOSED
SASA atoms
33
/ 53
% buried
37.7%
SASA
343.2Ų
398
4aq3 (CHAIN F)
62.3% EXPOSED
SASA atoms
33
/ 53
% buried
37.7%
SASA
361.9Ų
398
4aq3 (CHAIN A)
60.4% EXPOSED
SASA atoms
32
/ 53
% buried
39.6%
SASA
330.5Ų
398
4aq3 (CHAIN C)
60.4% EXPOSED
SASA atoms
32
/ 53
% buried
39.6%
SASA
319.1Ų
398
4aq3 (CHAIN D)
60.4% EXPOSED
SASA atoms
32
/ 53
% buried
39.6%
SASA
320.7Ų
398
4aq3 (CHAIN B)
58.5% EXPOSED
SASA atoms
31
/ 53
% buried
41.5%
SASA
320.9Ų
N2L
8hts (CHAIN A)
56.5% EXPOSED
SASA atoms
35
/ 62
% buried
43.5%
SASA
356.6Ų
98I
8hoi (CHAIN D)
56.2% EXPOSED
SASA atoms
36
/ 64
% buried
43.8%
SASA
386.2Ų
MWH
8htr (CHAIN A)
56.1% EXPOSED
SASA atoms
32
/ 57
% buried
43.9%
SASA
287.6Ų
1E9
4ieh (CHAIN A)
55.9% EXPOSED
SASA atoms
33
/ 59
% buried
44.1%
SASA
287.0Ų
1XJ
4lvt (CHAIN A)
55.4% EXPOSED
SASA atoms
36
/ 65
% buried
44.6%
SASA
375.0Ų
F3Q
6o0o (CHAIN C)
54.7% EXPOSED
SASA atoms
29
/ 53
% buried
45.3%
SASA
326.6Ų
98I
8hog (CHAIN A)
54.7% EXPOSED
SASA atoms
35
/ 64
% buried
45.3%
SASA
395.6Ų
98I
8hoi (CHAIN A)
54.7% EXPOSED
SASA atoms
35
/ 64
% buried
45.3%
SASA
379.7Ų
LBM
6o0l (CHAIN C)
54.1% EXPOSED
SASA atoms
33
/ 61
% buried
45.9%
SASA
331.0Ų
98I
8hoh (CHAIN A)
53.1% EXPOSED
SASA atoms
34
/ 64
% buried
46.9%
SASA
362.6Ų
98I
8hoi (CHAIN B)
53.1% EXPOSED
SASA atoms
34
/ 64
% buried
46.9%
SASA
388.9Ų
98I
8hoi (CHAIN C)
53.1% EXPOSED
SASA atoms
34
/ 64
% buried
46.9%
SASA
378.3Ų
LBM
6o0p (CHAIN A)
52.5% EXPOSED
SASA atoms
32
/ 61
% buried
47.5%
SASA
314.6Ų
1XJ
4lvt (CHAIN B)
50.8% EXPOSED
SASA atoms
33
/ 65
% buried
49.2%
SASA
362.0Ų
LBM
6o0k (CHAIN A)
50.8% EXPOSED
SASA atoms
31
/ 61
% buried
49.2%
SASA
311.5Ų
LBM
6o0m (CHAIN A)
50.8% EXPOSED
SASA atoms
31
/ 61
% buried
49.2%
SASA
305.5Ų
LBM
6o0l (CHAIN A)
49.2% EXPOSED
SASA atoms
30
/ 61
% buried
50.8%
SASA
327.7Ų
F3Q
6o0o (CHAIN A)
49.1% EXPOSED
SASA atoms
26
/ 53
% buried
50.9%
SASA
312.4Ų
XZD
7lhb (CHAIN A)
47.8% EXPOSED
SASA atoms
32
/ 67
% buried
52.2%
SASA
362.7Ų
F3Q
6gl8 (CHAIN A)
47.2% EXPOSED
SASA atoms
25
/ 53
% buried
52.8%
SASA
298.8Ų
LIU
2o22 (CHAIN A)
46.8% EXPOSED
SASA atoms
36
/ 77
% buried
53.2%
SASA
222.1Ų
XZD
7lhb (CHAIN B)
46.3% EXPOSED
SASA atoms
31
/ 67
% buried
53.7%
SASA
373.7Ų
XZD
7lhb (CHAIN C)
46.3% EXPOSED
SASA atoms
31
/ 67
% buried
53.7%
SASA
363.4Ų
DRO
2w3l (CHAIN A)
45.2% EXPOSED
SASA atoms
19
/ 42
% buried
54.8%
SASA
240.6Ų
1Y1
4man (CHAIN B)
45.2% EXPOSED
SASA atoms
38
/ 84
% buried
54.8%
SASA
394.2Ų
1Y1
4man (CHAIN A)
43.5% EXPOSED
SASA atoms
37
/ 85
% buried
56.5%
SASA
399.2Ų
DRO
2w3l (CHAIN B)
42.9% EXPOSED
SASA atoms
18
/ 42
% buried
57.1%
SASA
247.2Ų
43B
1ysw (CHAIN A)
42.3% EXPOSED
SASA atoms
33
/ 78
% buried
57.7%
SASA
238.9Ų
43B
2o21 (CHAIN A)
42.3% EXPOSED
SASA atoms
33
/ 78
% buried
57.7%
SASA
248.0Ų
LI0
2o2f (CHAIN A)
40.9% EXPOSED
SASA atoms
36
/ 88
% buried
59.1%
SASA
198.4Ų
ULL
8u27 (CHAIN A)
40.0% EXPOSED
SASA atoms
5
/ 1140
% buried
99.6%
SASA
14.4Ų
2D LIGAND MAP
GREEN (15–24 Ų)
YELLOW (24–34 Ų)
RED (≥34 Ų)
Atoms w/ SASA below 15 Ų are not highlighted
Highlighted atoms show linkable attachment sites
CHEMICAL PROPERTIES
QED: —
poor
moderate
good
Drug-likeness filters
Drug-likeness heuristics (informative, not absolute)