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WARHEAD COMMAND CENTER: 5fedb9a5 · E6
D10
2cme (CHAIN F)
100.0% EXPOSED
SASA atoms
10
/ 10
% buried
0.0%
SASA
193.2Ų
D10
2cme (CHAIN B)
90.0% EXPOSED
SASA atoms
9
/ 10
% buried
10.0%
SASA
146.1Ų
D10
2cme (CHAIN H)
90.0% EXPOSED
SASA atoms
9
/ 10
% buried
10.0%
SASA
149.7Ų
D10
2cme (CHAIN C)
80.0% EXPOSED
SASA atoms
8
/ 10
% buried
20.0%
SASA
144.9Ų
PQR
5ic3 (CHAIN A)
75.0% EXPOSED
SASA atoms
9
/ 12
% buried
25.0%
SASA
156.2Ų
GSH
4yh2 (CHAIN B)
70.0% EXPOSED
SASA atoms
14
/ 20
% buried
30.0%
SASA
74.0Ų
GSH
4yh2 (CHAIN A)
65.0% EXPOSED
SASA atoms
13
/ 20
% buried
35.0%
SASA
76.1Ų
GSH
4yh2 (CHAIN C)
65.0% EXPOSED
SASA atoms
13
/ 20
% buried
35.0%
SASA
76.5Ų
GSH
4yh2 (CHAIN D)
65.0% EXPOSED
SASA atoms
13
/ 20
% buried
35.0%
SASA
75.9Ų
SDY
8b87 (CHAIN A)
62.5% EXPOSED
SASA atoms
15
/ 24
% buried
37.5%
SASA
164.6Ų
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)