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WARHEAD COMMAND CENTER: 12f5e069 · CDK9
UT5
7nwk (CHAIN A)
66.7% EXPOSED
SASA atoms
18
/ 27
% buried
33.3%
SASA
117.0Ų
SLQ
3lq5 (CHAIN A)
53.1% EXPOSED
SASA atoms
17
/ 32
% buried
46.9%
SASA
163.9Ų
VQE
8k5r (CHAIN A)
47.6% EXPOSED
SASA atoms
10
/ 21
% buried
52.4%
SASA
105.1Ų
T7Z
4bch (CHAIN A)
45.5% EXPOSED
SASA atoms
15
/ 33
% buried
54.5%
SASA
131.2Ų
RFZ
3my1 (CHAIN A)
45.0% EXPOSED
SASA atoms
9
/ 20
% buried
55.0%
SASA
45.6Ų
Q6E
6z45 (CHAIN A)
43.3% EXPOSED
SASA atoms
13
/ 30
% buried
56.7%
SASA
134.1Ų
T9N
4bcj (CHAIN A)
41.7% EXPOSED
SASA atoms
10
/ 24
% buried
58.3%
SASA
83.8Ų
T3C
4bcg (CHAIN A)
40.0% EXPOSED
SASA atoms
12
/ 30
% buried
60.0%
SASA
93.7Ų
T6Q
4bcf (CHAIN A)
39.4% EXPOSED
SASA atoms
13
/ 33
% buried
60.6%
SASA
105.3Ų
T3E
4bci (CHAIN A)
37.0% EXPOSED
SASA atoms
10
/ 27
% buried
63.0%
SASA
123.1Ų
NJ6
8i0l (CHAIN A)
33.3% EXPOSED
SASA atoms
9
/ 27
% buried
66.7%
SASA
69.9Ų
LCI
6gzh (CHAIN A)
32.0% EXPOSED
SASA atoms
8
/ 25
% buried
68.0%
SASA
66.1Ų
F18
3tn8 (CHAIN A)
31.2% EXPOSED
SASA atoms
5
/ 16
% buried
68.8%
SASA
29.3Ų
F18
3tnh (CHAIN A)
31.2% EXPOSED
SASA atoms
5
/ 16
% buried
68.8%
SASA
36.4Ų
CPB
3blr (CHAIN A)
25.0% EXPOSED
SASA atoms
7
/ 28
% buried
75.0%
SASA
55.6Ų
TO7
6w9e (CHAIN A)
18.0% EXPOSED
SASA atoms
9
/ 50
% buried
82.0%
SASA
36.1Ų
TOJ
6w9e (CHAIN A)
16.0% EXPOSED
SASA atoms
8
/ 50
% buried
84.0%
SASA
49.2Ų
YT3
4or5 (CHAIN A)
0.0% EXPOSED
SASA atoms
0
/ 0
% buried
100.0%
SASA
0.0Ų
YT3
4or5 (CHAIN B)
0.0% EXPOSED
SASA atoms
0
/ 0
% buried
100.0%
SASA
0.0Ų
YT3
4or5 (CHAIN E)
0.0% EXPOSED
SASA atoms
0
/ 0
% buried
100.0%
SASA
0.0Ų
YT3
4or5 (CHAIN F)
0.0% EXPOSED
SASA atoms
0
/ 0
% buried
100.0%
SASA
0.0Ų
YT3
4or5 (CHAIN G)
0.0% EXPOSED
SASA atoms
0
/ 0
% buried
100.0%
SASA
0.0Ų
YT3
4or5 (CHAIN J)
0.0% EXPOSED
SASA atoms
0
/ 0
% buried
100.0%
SASA
0.0Ų
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)