1
|
2XS4
|
- |
ALA PHE THR
|
n/a
|
n/a
|
2
|
4IN9
|
Ki
=
10.7
uM |
SER TRP PHE PRO
|
n/a
|
n/a
|
3
|
2XS3
|
- |
ALA PHE THR SER
|
n/a
|
n/a
|
4
|
1D8M
|
- |
BBH
|
C19 H21 N3 O6 S
|
COc1ccc(cc....
|
5
|
1BIW
|
ic50
=
104
nM |
S80
|
C20 H37 N3 O6
|
CC(C)C[C@H....
|
6
|
4DPE
|
- |
NGH
|
C13 H20 N2 O5 S
|
CC(C)C[N@]....
|
7
|
2D1O
|
Ki
=
0.02
uM |
FA4
|
C24 H42 N6 O3
|
[H]/N=C(/N....
|
8
|
1HY7
|
ic50
=
4090
nM |
MBS
|
C20 H21 N O6 S
|
COCC#CC[C@....
|
9
|
1BQO
|
ic50
=
18.4
nM |
N25
|
C21 H27 N3 O8 S2
|
CC1(C[N@](....
|
10
|
2USN
|
Ki
=
0.31
uM |
IN8
|
C19 H18 N4 O3 S2
|
c1ccc(cc1)....
|
11
|
1B3D
|
- |
S27
|
C20 H27 N2 O3 P
|
CC(C)C[C@H....
|
12
|
1CIZ
|
Ki
=
36
nM |
DPS
|
C28 H29 N3 O4 S
|
c1ccc(cc1)....
|
13
|
1D8F
|
ic50
=
18
nM |
SPI
|
C20 H23 N3 O7 S
|
COc1ccc(cc....
|
14
|
1HFS
|
Ki
=
2
nM |
L04
|
C43 H48 F N3 O5
|
CC(C)C[C@@....
|
15
|
1D7X
|
- |
SPC
|
C13 H19 N3 O6 S
|
COc1ccc(cc....
|
16
|
1G05
|
ic50
=
3.1
nM |
BBH
|
C19 H21 N3 O6 S
|
COc1ccc(cc....
|
17
|
1B8Y
|
Ki
=
14
nM |
IN7
|
C19 H22 N2 O4 S
|
c1ccc(cc1)....
|
18
|
1CAQ
|
Ki
=
19
nM |
DPS
|
C28 H29 N3 O4 S
|
c1ccc(cc1)....
|
19
|
1G4K
|
- |
HQQ
|
C17 H14 N2 O4
|
CC1(C(=O)N....
|
20
|
4JA1
|
- |
NGH
|
C13 H20 N2 O5 S
|
CC(C)C[N@]....
|
21
|
1G49
|
ic50
=
16
nM |
111
|
C16 H25 N3 O7 S2
|
CCCCOc1ccc....
|
22
|
1SLN
|
Ki
=
0.23
uM |
INH
|
C25 H35 N6 O4
|
C[C@H](C(=....
|
23
|
1C3I
|
- |
TR1
|
C24 H31 N3 O4 S
|
CC(C)[C@@H....
|
24
|
1USN
|
Ki
=
0.018
uM |
IN9
|
C13 H10 F5 N5 O2 S2
|
CNC(=O)[C@....
|
25
|
4G9L
|
- |
NGH
|
C13 H20 N2 O5 S
|
CC(C)C[N@]....
|
26
|
3AYU
|
- |
ILE SER TYR GLY ASN ASP ALA LEU MET PRO
|
n/a
|
n/a
|
27
|
5I4O
|
- |
V28
|
C28 H35 N5 O9 S
|
CC(C)[C@H]....
|
28
|
4GQL
|
Ki
=
0.26
nM |
R47
|
C35 H35 Br Cl N4 O10 P
|
c1cc(cc(c1....
|
29
|
1UTT
|
ic50
=
24
uM |
CP8
|
C19 H20 N2 O4 S
|
C[N@@]1c2c....
|
30
|
5I0L
|
ic50
=
18
nM |
H27
|
C34 H42 N4 O12 S2
|
CC(C)[C@H]....
|
31
|
4EFS
|
Ki
=
2.5
nM |
E37
|
C22 H20 N2 O4 S
|
c1ccc(cc1)....
|
32
|
4GR3
|
Ki
=
15.5
nM |
R45
|
C29 H32 Br N4 O10 P
|
c1ccc(cc1)....
|
33
|
5CZM
|
- |
R47
|
C35 H35 Br Cl N4 O10 P
|
c1cc(cc(c1....
|
34
|
6RLY
|
Ki
=
17.5
uM |
K8T
|
C21 H20 N2 O3
|
c1ccc(cc1)....
|
35
|
1Y93
|
Kd
=
8
mM |
HAE
|
C2 H5 N O2
|
CC(=O)NO
|
36
|
6RD0
|
Ki
=
17.7
uM |
K0Q
|
C17 H17 N3 O3
|
c1ccc2c(c1....
|
37
|
3TSK
|
- |
QEG
|
C29 H32 N4 O6 S
|
c1ccc(cc1)....
|
38
|
2W0D
|
ic50
~
2
nM |
CGS
|
C18 H23 N3 O5 S
|
CC(C)[C@H]....
|
39
|
3F16
|
Kd
=
5.91
nM |
HS3
|
C10 H12 N2 O6 S
|
COc1ccc(cc....
|
40
|
5D3C
|
- |
56O
|
C30 H32 Cl N5 O10
|
c1cc(cc(c1....
|
41
|
3NX7
|
Kd
=
7.88
nM |
NHK
|
C11 H16 N2 O6 S
|
COc1ccc(cc....
|
42
|
3N2U
|
- |
D3X
|
C17 H26 N2 O11 S
|
COc1ccc(cc....
|
43
|
2OXW
|
- |
ILE ALA GLY
|
n/a
|
n/a
|
44
|
3EHY
|
Ki
=
1.4
uM |
TBL
|
C10 H13 N O5 S
|
C[C@H](C(=....
|
45
|
1UTZ
|
ic50
=
0.014
uM |
PF3
|
C25 H20 N2 O3 S
|
c1ccc(cc1)....
|
46
|
3LKA
|
Kd
=
1.5
mM |
M4S
|
C7 H9 N O3 S
|
COc1ccc(cc....
|
47
|
3F19
|
Kd
=
65.1
nM |
HS6
|
C8 H7 F N2 O4 S
|
c1cc(ccc1F....
|
48
|
5L7F
|
Ki
=
0.9
nM |
R47 6PJ
|
n/a
|
n/a
|
49
|
6ENM
|
- |
LPW
|
C21 H19 N O5 S
|
COc1ccc(cc....
|
50
|
3EHX
|
Ki
=
25
nM |
BDL
|
C18 H21 N O4 S
|
CC(C)C[C@H....
|
51
|
6EOX
|
- |
BKW
|
C21 H18 O5 S
|
COc1ccc(cc....
|
52
|
2HU6
|
Kd
=
154
uM |
37A
|
C20 H21 N3 O5
|
c1ccc(cc1)....
|
53
|
3N2V
|
- |
JT5
|
C16 H18 N2 O5 S
|
c1ccc(cc1)....
|
54
|
3F18
|
Kd
=
39.5
nM |
HS5
|
C10 H11 F N2 O5 S
|
c1cc(ccc1F....
|
55
|
4GR8
|
Ki
=
14.7
nM |
R4C
|
C25 H28 Br N4 O6 P
|
C[C@@H](C(....
|
56
|
3F15
|
Kd
=
7.88
nM |
HS1
|
C12 H16 N2 O7 S
|
COc1ccc(cc....
|
57
|
6ELA
|
- |
B9Z
|
C24 H22 O5 S
|
COc1ccc(cc....
|
58
|
5N5J
|
- |
HAE
|
C2 H5 N O2
|
CC(=O)NO
|
59
|
2OXZ
|
- |
ILE ALA GLY
|
n/a
|
n/a
|
60
|
3LIK
|
Ki
=
1.92
nM |
EEG
|
C29 H31 N3 O7 S
|
c1ccc(cc1)....
|
61
|
5I43
|
- |
67M
|
C37 H47 N5 O13 S
|
CC(C)[C@H]....
|
62
|
3F17
|
Kd
=
2.36
nM |
HS4
|
C14 H14 N2 O4 S
|
c1ccc(cc1)....
|
63
|
6EKN
|
- |
B9N
|
C24 H22 O7 S
|
COc1ccc(cc....
|
64
|
5D2B
|
- |
56O
|
C30 H32 Cl N5 O10
|
c1cc(cc(c1....
|
65
|
2WO8
|
ic50
=
0.52
uM |
077
|
C17 H18 O3
|
c1ccc(cc1)....
|
66
|
1OS2
|
- |
HAE
|
C2 H5 N O2
|
CC(=O)NO
|
67
|
4GR0
|
Ki
=
0.28
nM |
R4B
|
C31 H31 Br Cl N4 O6 P
|
C[C@@H](C(....
|
68
|
2WOA
|
ic50
=
1.15
uM |
576
|
C18 H18 O3
|
c1ccc-2c(c....
|
69
|
3LK8
|
Kd
=
19.7
nM |
Z79
|
C9 H12 N2 O5 S
|
COc1ccc(cc....
|
70
|
5L79
|
Ki
=
0.9
nM |
R47 6PJ
|
n/a
|
n/a
|
71
|
3F1A
|
Kd
=
61.1
nM |
HS7
|
C8 H8 N2 O4 S
|
c1ccc(cc1)....
|
72
|
5N5K
|
- |
HAE
|
C2 H5 N O2
|
CC(=O)NO
|
73
|
2WO9
|
ic50
=
0.062
uM |
068
|
C19 H20 O4
|
CC(=O)c1cc....
|
74
|
3LJG
|
Ki
=
18.6
nM |
EEF
|
C25 H29 N3 O7
|
c1ccc(cc1)....
|
75
|
5I3M
|
- |
67F
|
C28 H38 N4 O9 S2
|
CC(C)[C@@H....
|
76
|
1RMZ
|
- |
NGH
|
C13 H20 N2 O5 S
|
CC(C)C[N@]....
|
77
|
3LIL
|
Ki
=
8.3
nM |
EEA
|
C28 H29 Cl N4 O8
|
c1cc(cc(c1....
|
78
|
4I03
|
- |
L88
|
C58 H66 N4 O11 S2
|
c1ccc(cc1)....
|
79
|
1ROS
|
ic50
=
0.0017
uM |
DEO
|
C28 H25 N O6
|
CCOc1ccc(c....
|
80
|
5CXA
|
- |
55L
|
C30 H31 Cl N4 O10
|
c1cc(cc(c1....
|
81
|
5I2Z
|
- |
V24
|
C34 H41 N5 O12 S
|
CC(C)[C@H]....
|
82
|
1JK3
|
- |
BAT
|
C23 H31 N3 O4 S2
|
CC(C)C[C@H....
|
83
|
3LIR
|
Ki
=
119
nM |
EEC
|
C22 H26 N4 O8
|
c1ccc(cc1)....
|
84
|
3TS4
|
Ki
=
1.9
nM |
EEG
|
C29 H31 N3 O7 S
|
c1ccc(cc1)....
|
85
|
3KEJ
|
Ki
=
75.9
nM |
3EJ
|
C22 H17 F N6 O3
|
c1cc(cc(c1....
|
86
|
4L19
|
Ki
=
0.8
uM |
1UA
|
C15 H16 N2 O S
|
Cc1ccc(cc1....
|
87
|
5BOT
|
ic50
=
39
uM |
4UM
|
C12 H12 N2 O3
|
CCOC(=O)c1....
|
88
|
3KRY
|
ic50
=
0.1
nM |
3KR
|
C22 H23 F3 N2 O7 S
|
COCCN1CCC(....
|
89
|
1XUD
|
ic50
=
8
nM |
PB4
|
C22 H20 F2 N4 O2
|
Cc1cc(ccc1....
|
90
|
3I7I
|
ic50
=
620
nM |
518
|
C29 H29 N3 O5
|
CNC(=O)[C@....
|
91
|
3WV1
|
ic50
=
0.0039
nM |
WHH
|
C26 H22 F N3 O6
|
COc1cccc(c....
|
92
|
5BPA
|
ic50
=
0.001
uM |
4UF
|
C24 H22 N4 O5
|
CCOC(=O)c1....
|
93
|
4JPA
|
ic50
=
3.3
nM |
AZ6
|
C21 H23 N7 O5 S
|
C[C@]1(C(=....
|
94
|
5B5O
|
ic50
=
1900
nM |
WMM
|
C12 H11 N5 S2
|
c1ccc(cc1)....
|
95
|
2OW9
|
ic50
=
30
nM |
SP6
|
C21 H16 N2 O4 S
|
c1ccc(cc1)....
|
96
|
3ELM
|
Ki
=
0.19
nM |
24F
|
C23 H30 N2 O7 S2
|
CCOc1ccc(c....
|
97
|
1CXV
|
- |
CBP
|
C19 H20 Cl N O6 S
|
c1cc(ccc1O....
|
98
|
4A7B
|
- |
3W5
|
C27 H30 N2 O5 S
|
c1cc(ccc1C....
|
99
|
3WV2
|
ic50
=
12
nM |
WGG
|
C17 H15 N3 O3
|
COc1cccc(c....
|
100
|
4JP4
|
- |
AZ4
|
C19 H23 F4 N7 O5 S
|
c1c(cnc(n1....
|
101
|
2OZR
|
ic50
=
0.67
nM |
GG1
|
C26 H20 N2 O4
|
CN1c2ccc(c....
|
102
|
5UWK
|
Ki
=
2.3
nM |
8OM
|
C25 H27 N3 O5 S2
|
CC(C)[C@@H....
|
103
|
1YOU
|
ic50
=
0.87
nM |
PFD
|
C20 H19 F N2 O6
|
CCOCCC1(C(....
|
104
|
830C
|
Ki
=
0.52
nM |
RS1
|
C19 H20 Cl N O6 S
|
c1cc(ccc1O....
|
105
|
5BOY
|
ic50
=
2.5
uM |
4UE
|
C15 H15 N3 O2
|
CCOC(=O)c1....
|
106
|
3I7G
|
ic50
=
430
nM |
732
|
C20 H23 Cl N2 O3
|
CNC(=O)[C@....
|
107
|
1XUC
|
ic50
=
72
nM |
PB3
|
C22 H22 N4 O2
|
Cc1cccc(c1....
|
108
|
1ZTQ
|
ic50
=
1.3
nM |
033
|
C26 H24 N2 O6 S
|
CC(C)[C@@H....
|
109
|
456C
|
Ki
=
0.17
nM |
CBP
|
C19 H20 Cl N O6 S
|
c1cc(ccc1O....
|
110
|
1XUR
|
ic50
=
6600
nM |
PB5
|
C18 H16 N6 O2
|
c1cc(cnc1)....
|
111
|
2D1N
|
Ki
=
0.007
uM |
FA4
|
C24 H42 N6 O3
|
[H]/N=C(/N....
|
112
|
3KEC
|
ic50
=
58
nM |
3KE
|
C24 H21 N5 O4
|
COc1ccc(cc....
|
113
|
5UWM
|
ic50
=
356
nM |
8OA
|
C25 H28 N4 O4 S
|
CC(C)[C@H]....
|
114
|
3TVC
|
Ki
=
18
nM |
E3P
|
C26 H26 N2 O4
|
c1ccc(cc1)....
|
115
|
3ZXH
|
- |
E41
|
C20 H28 N2 O4 S
|
CC(C)CCN([....
|
116
|
3KEK
|
Ki
=
4.4
nM |
3EK
|
C24 H26 F N5 O3
|
Cc1cc(cc(n....
|
117
|
3WV3
|
ic50
=
24
nM |
WLL
|
C15 H13 N3 O3 S
|
COc1cccc(c....
|
118
|
2YIG
|
ic50
=
79.4
nM |
5EL
|
C28 H27 N3 O3
|
c1cc(ccc1C....
|
119
|
5B5P
|
ic50
=
0.2
nM |
WNN
|
C20 H18 N6 O3 S
|
c1ccc2c(c1....
|
120
|
3LJZ
|
Ki
=
7.3
nM |
LA3
|
C27 H26 N2 O6
|
c1ccc2c(c1....
|
121
|
6HV2
|
- |
ILE MET ILE SER PHE
|
n/a
|
n/a
|
122
|
1MNC
|
- |
PLH
|
C18 H27 N3 O4
|
CC(C)C[C@H....
|
123
|
3DPE
|
ic50
=
57
nM |
AXB
|
C24 H21 N5 O6 S2
|
c1cc2c(cc1....
|
124
|
1I76
|
- |
BSI
|
C22 H19 N O4 S
|
c1ccc(cc1)....
|
125
|
1ZP5
|
ic50
=
1200
uM |
2NI
|
C17 H17 N3 O3
|
CN(CCOc1cc....
|
126
|
1JAP
|
- |
PRO LEU GLY HOA
|
n/a
|
n/a
|
127
|
2OY2
|
- |
ILE ALA GLY
|
n/a
|
n/a
|
128
|
1I73
|
- |
PRO LEU PAT
|
n/a
|
n/a
|
129
|
3DNG
|
ic50
=
7.4
nM |
AXA
|
C22 H21 N5 O5 S
|
c1cc2c(cc1....
|
130
|
1JAO
|
Ki
=
1.2
uM |
0D3
|
C15 H21 N3 O3 S
|
NULL
|
131
|
1ZS0
|
Ki
=
0.7
uM |
EIN
|
C17 H22 N O6 P S
|
CC(C)[C@@H....
|
132
|
1BZS
|
ic50
=
10
nM |
BSI
|
C22 H19 N O4 S
|
c1ccc(cc1)....
|
133
|
1JAQ
|
Ki
=
33
uM |
01S
|
C12 H22 N4 O5
|
NULL
|
134
|
1KBC
|
- |
HLE RIN
|
n/a
|
n/a
|
135
|
1JAN
|
- |
PRO LEU GLY HOA
|
n/a
|
n/a
|
136
|
5H8X
|
ic50
=
3.1
uM |
7FY
|
C18 H15 N O4 S
|
c1ccc(cc1)....
|
137
|
1MMB
|
- |
BAT
|
C23 H31 N3 O4 S2
|
CC(C)C[C@H....
|
138
|
3DPF
|
- |
AXB
|
C24 H21 N5 O6 S2
|
c1cc2c(cc1....
|
139
|
1JJ9
|
ic50
=
1700
nM |
BBT
|
C17 H21 N3 O4
|
c1ccc(cc1)....
|
140
|
1ZVX
|
Ki
=
0.6
nM |
FIN
|
C17 H22 N O6 P S
|
CC(C)[C@H]....
|
141
|
3TT4
|
Ki
=
5.3
nM |
E1S
|
C19 H22 N2 O4 S
|
Cc1ccc(s1)....
|
142
|
1MMQ
|
Ki
=
0.03
uM |
RRS
|
C25 H36 N4 O4
|
CC(C)C[C@H....
|
143
|
2Y6C
|
ic50
=
0.0001
M |
TQI
|
C18 H14 Cl F3 N2 O4 S
|
c1ccc2c(c1....
|
144
|
1MMP
|
Ki
=
0.85
uM |
RSS
|
C25 H35 N3 O4
|
CC(C)C[C@H....
|
145
|
1MMR
|
Ki
=
4
uM |
SRS
|
C25 H39 N5 O2 S
|
CC(C)C[C@H....
|
146
|
4JQG
|
- |
8MC PRO LEU GLY PFF DNW ALA ARG NH2
|
n/a
|
n/a
|
147
|
1GKC
|
- |
NFH
|
C15 H29 N3 O4
|
CC(C)C[C@H....
|
148
|
5I12
|
ic50
=
1200
nM |
H27
|
C34 H42 N4 O12 S2
|
CC(C)[C@H]....
|
149
|
1GKD
|
- |
STN BUM
|
n/a
|
n/a
|
150
|
2OW0
|
- |
6MR
|
C23 H19 I N2 O4 S
|
c1ccc2c(c1....
|
151
|
4WZV
|
ic50
=
0.43
nM |
E40
|
C28 H29 N3 O8 S
|
CC(C)ON([C....
|
152
|
2OVX
|
- |
4MR
|
C24 H22 N6 O4
|
c1ccc(cc1)....
|
153
|
6ESM
|
- |
B9Z
|
C24 H22 O5 S
|
COc1ccc(cc....
|
154
|
4JIJ
|
- |
8MC PRO LEU GLY PHI DNW ALA ARG NH2
|
n/a
|
n/a
|
155
|
4XCT
|
ic50
=
6.7
nM |
N73
|
C20 H24 N2 O5 S
|
CC(C)[C@H]....
|
156
|
2OW1
|
- |
7MR
|
C16 H15 F3 N2 O5 S
|
c1ccc(cc1)....
|
157
|
2OVZ
|
- |
5MR
|
C30 H29 N4 O5 P
|
c1ccc(cc1)....
|
158
|
1CGL
|
Ki
=
135
nM |
0ED
|
C33 H47 N5 O7
|
NULL
|
159
|
966C
|
Ki
=
23
nM |
RS2
|
C19 H21 N O6 S
|
c1ccc(cc1)....
|
160
|
2TCL
|
ic50
=
9
nM |
RO4
|
C19 H35 N3 O6
|
CCOC(=O)[C....
|
161
|
1HFC
|
- |
PLH
|
C18 H27 N3 O4
|
CC(C)C[C@H....
|
162
|
5UE4
|
Kd
=
3.3
uM |
5XQ
|
C16 H16 N4 O2 S2
|
Cc1c(sc(n1....
|
163
|
1RM8
|
- |
BAT
|
C23 H31 N3 O4 S2
|
CC(C)C[C@H....
|
164
|
1Q3A
|
- |
NGH
|
C13 H20 N2 O5 S
|
CC(C)C[N@]....
|
165
|
5H0U
|
- |
HIS HIS HIS HIS HIS HIS
|
n/a
|
n/a
|