Loading Warhead Results
Checking molecular artifacts
Initializing results command center
Preparing the first usable ligand.
WARHEAD COMMAND CENTER: 61bf4697 NTSR1
BNG
6yvr (CHAIN B)
80.4% EXPOSED
SASA atoms
41
/ 51
% buried
19.6%
SASA
464.0Ų
BNG
6yvr (CHAIN B)
58.8% EXPOSED
SASA atoms
30
/ 51
% buried
41.2%
SASA
283.1Ų
BNG
6yvr (CHAIN A)
56.9% EXPOSED
SASA atoms
29
/ 51
% buried
43.1%
SASA
246.2Ų
BNG
6yvr (CHAIN A)
56.9% EXPOSED
SASA atoms
29
/ 51
% buried
43.1%
SASA
315.5Ų
BNG
6yvr (CHAIN B)
56.9% EXPOSED
SASA atoms
29
/ 51
% buried
43.1%
SASA
241.3Ų
BNG
6yvr (CHAIN B)
56.9% EXPOSED
SASA atoms
29
/ 51
% buried
43.1%
SASA
333.3Ų
BNG
6yvr (CHAIN A)
54.9% EXPOSED
SASA atoms
28
/ 51
% buried
45.1%
SASA
281.5Ų
Q6N
6z4q (CHAIN C)
50.5% EXPOSED
SASA atoms
51
/ 101
% buried
49.5%
SASA
386.9Ų
Q6Q
6zin (CHAIN G)
37.5% EXPOSED
SASA atoms
27
/ 72
% buried
62.5%
SASA
180.8Ų
A00
9qc1 (CHAIN A)
36.4% EXPOSED
SASA atoms
20
/ 55
% buried
63.6%
SASA
112.9Ų
BNG
6yvr (CHAIN B)
35.3% EXPOSED
SASA atoms
18
/ 51
% buried
64.7%
SASA
195.4Ų
A01
9qd4 (CHAIN A)
34.4% EXPOSED
SASA atoms
21
/ 61
% buried
65.6%
SASA
109.6Ų
Q6Q
6z4s (CHAIN D)
34.2% EXPOSED
SASA atoms
25
/ 73
% buried
65.8%
SASA
138.8Ų
A00
9qc1 (CHAIN A)
29.1% EXPOSED
SASA atoms
16
/ 55
% buried
70.9%
SASA
46.8Ų
SR9
6z8n (CHAIN E)
26.8% EXPOSED
SASA atoms
15
/ 56
% buried
73.2%
SASA
87.2Ų
SR5
6za8 (CHAIN F)
25.0% EXPOSED
SASA atoms
16
/ 64
% buried
75.0%
SASA
97.0Ų
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)