-->
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
COA
|
1
|
1
|
2
|
0T1
|
0.894737
|
0.976744
|
3
|
DCA
|
0.893805
|
0.954023
|
4
|
COS
|
0.887931
|
0.977012
|
5
|
ETB
|
0.877193
|
0.920455
|
6
|
AMX
|
0.871795
|
0.988235
|
7
|
30N
|
0.871795
|
0.913979
|
8
|
CAO
|
0.871795
|
0.965909
|
9
|
CMX
|
0.864407
|
0.976744
|
10
|
SCO
|
0.864407
|
0.976744
|
11
|
ACO
|
0.857143
|
0.965909
|
12
|
FCX
|
0.857143
|
0.94382
|
13
|
FAM
|
0.857143
|
0.954545
|
14
|
HAX
|
0.85
|
0.954545
|
15
|
3KK
|
0.842975
|
0.977012
|
16
|
FYN
|
0.842975
|
1
|
17
|
SOP
|
0.836066
|
0.977012
|
18
|
MCD
|
0.836066
|
0.954545
|
19
|
OXK
|
0.836066
|
0.977012
|
20
|
CA6
|
0.836066
|
0.885417
|
21
|
COK
|
0.836066
|
0.977012
|
22
|
CO6
|
0.829268
|
0.977012
|
23
|
NMX
|
0.829268
|
0.903226
|
24
|
1VU
|
0.829268
|
0.965909
|
25
|
CMC
|
0.829268
|
0.977012
|
26
|
CAJ
|
0.822581
|
0.954545
|
27
|
SCD
|
0.822581
|
0.976744
|
28
|
2MC
|
0.822581
|
0.934066
|
29
|
2CP
|
0.81746
|
0.965909
|
30
|
A1S
|
0.816
|
0.977012
|
31
|
3HC
|
0.816
|
0.988372
|
32
|
IVC
|
0.816
|
0.988372
|
33
|
1HE
|
0.816
|
0.955056
|
34
|
MLC
|
0.816
|
0.977012
|
35
|
BCO
|
0.816
|
0.977012
|
36
|
COD
|
0.810345
|
0.988235
|
37
|
COO
|
0.809524
|
0.977012
|
38
|
MCA
|
0.809524
|
0.965909
|
39
|
CAA
|
0.809524
|
0.988372
|
40
|
YE1
|
0.809524
|
0.965517
|
41
|
MC4
|
0.80315
|
0.923913
|
42
|
SCA
|
0.80315
|
0.977012
|
43
|
CA8
|
0.796875
|
0.885417
|
44
|
COF
|
0.796875
|
0.955056
|
45
|
BYC
|
0.796875
|
0.977012
|
46
|
COW
|
0.796875
|
0.965909
|
47
|
3CP
|
0.796875
|
0.977012
|
48
|
IRC
|
0.796875
|
0.988372
|
49
|
1GZ
|
0.796875
|
0.965909
|
50
|
HGG
|
0.796875
|
0.977012
|
51
|
2KQ
|
0.796875
|
0.955056
|
52
|
BCA
|
0.790698
|
0.965909
|
53
|
4CA
|
0.790698
|
0.965909
|
54
|
FAQ
|
0.790698
|
0.977012
|
55
|
HXC
|
0.784615
|
0.955056
|
56
|
GRA
|
0.784615
|
0.977012
|
57
|
1CV
|
0.781955
|
0.977012
|
58
|
TGC
|
0.778626
|
0.965909
|
59
|
2NE
|
0.772727
|
0.955056
|
60
|
1CZ
|
0.772727
|
0.965909
|
61
|
CO8
|
0.772727
|
0.955056
|
62
|
S0N
|
0.772727
|
0.954545
|
63
|
CIC
|
0.772727
|
0.977012
|
64
|
DCC
|
0.766917
|
0.955056
|
65
|
UCC
|
0.766917
|
0.955056
|
66
|
0FQ
|
0.766917
|
0.977012
|
67
|
MYA
|
0.766917
|
0.955056
|
68
|
ST9
|
0.766917
|
0.955056
|
69
|
4CO
|
0.766917
|
0.965909
|
70
|
5F9
|
0.766917
|
0.955056
|
71
|
MFK
|
0.766917
|
0.955056
|
72
|
01A
|
0.761194
|
0.934066
|
73
|
0ET
|
0.761194
|
0.955056
|
74
|
WCA
|
0.755556
|
0.955056
|
75
|
CS8
|
0.755556
|
0.944444
|
76
|
UOQ
|
0.75
|
0.955056
|
77
|
NHW
|
0.75
|
0.955056
|
78
|
NHM
|
0.75
|
0.955056
|
79
|
4KX
|
0.75
|
0.944444
|
80
|
HDC
|
0.75
|
0.955056
|
81
|
MRR
|
0.744526
|
0.955056
|
82
|
MRS
|
0.744526
|
0.955056
|
83
|
HFQ
|
0.744526
|
0.955056
|
84
|
YNC
|
0.73913
|
0.965909
|
85
|
DAK
|
0.73913
|
0.944444
|
86
|
8Z2
|
0.733813
|
0.944444
|
87
|
NHQ
|
0.723404
|
0.988372
|
88
|
F8G
|
0.715278
|
0.913979
|
89
|
1HA
|
0.713287
|
0.955056
|
90
|
01K
|
0.708333
|
0.977012
|
91
|
COT
|
0.703448
|
0.977012
|
92
|
CCQ
|
0.695652
|
0.934066
|
93
|
CA3
|
0.693878
|
0.977012
|
94
|
7L1
|
0.692308
|
0.965909
|
95
|
CA5
|
0.671053
|
0.934066
|
96
|
UCA
|
0.666667
|
0.955056
|
97
|
93P
|
0.666667
|
0.965909
|
98
|
CO7
|
0.664234
|
0.977012
|
99
|
93M
|
0.64557
|
0.965909
|
100
|
OXT
|
0.634146
|
0.913979
|
101
|
5TW
|
0.607143
|
0.913979
|
102
|
4BN
|
0.607143
|
0.913979
|
103
|
PAP
|
0.603604
|
0.811765
|
104
|
JBT
|
0.598837
|
0.894737
|
105
|
BSJ
|
0.592814
|
0.944444
|
106
|
HMG
|
0.581081
|
0.943182
|
107
|
COA PLM
|
0.573333
|
0.922222
|
108
|
PLM COA
|
0.573333
|
0.922222
|
109
|
A3P
|
0.54955
|
0.8
|
110
|
PPS
|
0.547009
|
0.752688
|
111
|
ASP ASP ASP ILE CMC NH2
|
0.536585
|
0.932584
|
112
|
0WD
|
0.521739
|
0.788889
|
113
|
SFC
|
0.490683
|
0.955056
|
114
|
RFC
|
0.490683
|
0.955056
|
115
|
191
|
0.490196
|
0.865979
|
116
|
ACE SER ASP ALY THR NH2 COA
|
0.483333
|
0.932584
|
117
|
3AM
|
0.482143
|
0.788235
|
118
|
PTJ
|
0.48062
|
0.872093
|
119
|
4PS
|
0.477477
|
0.682353
|
120
|
A22
|
0.468254
|
0.813953
|
121
|
A2D
|
0.465517
|
0.802326
|
122
|
PUA
|
0.462585
|
0.820225
|
123
|
PAJ
|
0.460938
|
0.883721
|
124
|
ATR
|
0.459016
|
0.8
|
125
|
SAP
|
0.459016
|
0.806818
|
126
|
AGS
|
0.459016
|
0.806818
|
127
|
3OD
|
0.458015
|
0.825581
|
128
|
ADP
|
0.453782
|
0.823529
|
129
|
A2R
|
0.448819
|
0.813953
|
130
|
BA3
|
0.445378
|
0.802326
|
131
|
OAD
|
0.442748
|
0.825581
|
132
|
NA7
|
0.442748
|
0.858824
|
133
|
ATP
|
0.442623
|
0.823529
|
134
|
HEJ
|
0.442623
|
0.823529
|
135
|
AP5
|
0.441667
|
0.802326
|
136
|
B4P
|
0.441667
|
0.802326
|
137
|
AR6
|
0.439024
|
0.802326
|
138
|
APR
|
0.439024
|
0.802326
|
139
|
2A5
|
0.439024
|
0.847059
|
140
|
5FA
|
0.439024
|
0.823529
|
141
|
AQP
|
0.439024
|
0.823529
|
142
|
AN2
|
0.438017
|
0.813953
|
143
|
AT4
|
0.438017
|
0.816092
|
144
|
48N
|
0.435714
|
0.808989
|
145
|
M33
|
0.434426
|
0.813953
|
146
|
9X8
|
0.431818
|
0.806818
|
147
|
SRP
|
0.429688
|
0.837209
|
148
|
ANP
|
0.428571
|
0.804598
|
149
|
ADQ
|
0.427481
|
0.804598
|
150
|
YLB
|
0.426573
|
0.908046
|
151
|
YLP
|
0.425532
|
0.886364
|
152
|
5AL
|
0.425197
|
0.813953
|
153
|
7D3
|
0.425
|
0.793103
|
154
|
AD9
|
0.424
|
0.804598
|
155
|
APU
|
0.423611
|
0.786517
|
156
|
7D4
|
0.422764
|
0.793103
|
157
|
CA0
|
0.422764
|
0.804598
|
158
|
25L
|
0.422222
|
0.813953
|
159
|
ATF
|
0.421875
|
0.795455
|
160
|
F2R
|
0.421769
|
0.865169
|
161
|
NJP
|
0.421769
|
0.806818
|
162
|
A2P
|
0.421488
|
0.788235
|
163
|
A A A
|
0.421053
|
0.813953
|
164
|
8QN
|
0.419847
|
0.813953
|
165
|
PNS
|
0.419643
|
0.682353
|
166
|
ACP
|
0.419355
|
0.825581
|
167
|
NDP
|
0.417808
|
0.788889
|
168
|
ACQ
|
0.417323
|
0.825581
|
169
|
A1R
|
0.416667
|
0.882353
|
170
|
ATP A A A
|
0.416058
|
0.770115
|
171
|
A
|
0.415254
|
0.8
|
172
|
AMP
|
0.415254
|
0.8
|
173
|
1ZZ
|
0.414815
|
0.842697
|
174
|
NB8
|
0.414815
|
0.808989
|
175
|
TXA
|
0.414815
|
0.816092
|
176
|
FYA
|
0.414815
|
0.813953
|
177
|
DLL
|
0.413534
|
0.793103
|
178
|
00A
|
0.413534
|
0.758242
|
179
|
AHX
|
0.413534
|
0.829545
|
180
|
PAX
|
0.412903
|
0.793478
|
181
|
DQV
|
0.411348
|
0.813953
|
182
|
OMR
|
0.409722
|
0.853933
|
183
|
9ZD
|
0.409091
|
0.818182
|
184
|
25A
|
0.409091
|
0.802326
|
185
|
OOB
|
0.409091
|
0.793103
|
186
|
9ZA
|
0.409091
|
0.818182
|
187
|
NPW
|
0.408163
|
0.822222
|
188
|
6YZ
|
0.407692
|
0.825581
|
189
|
A A
|
0.407407
|
0.781609
|
190
|
WAQ
|
0.407407
|
0.860465
|
191
|
TAT
|
0.40625
|
0.816092
|
192
|
T99
|
0.40625
|
0.816092
|
193
|
AMO
|
0.406015
|
0.837209
|
194
|
4AD
|
0.406015
|
0.827586
|
195
|
A3R
|
0.406015
|
0.882353
|
196
|
FA5
|
0.405797
|
0.816092
|
197
|
YAP
|
0.405797
|
0.806818
|
198
|
B5Y
|
0.405797
|
0.786517
|
199
|
TXP
|
0.405405
|
0.829545
|
200
|
ABM
|
0.404959
|
0.781609
|
201
|
PRX
|
0.404762
|
0.825581
|
202
|
ME8
|
0.404412
|
0.842697
|
203
|
BIS
|
0.404412
|
0.818182
|
204
|
AFH
|
0.404255
|
0.78022
|
205
|
J7V
|
0.403846
|
0.778947
|
206
|
NAI
|
0.402778
|
0.777778
|
207
|
ODP
|
0.402685
|
0.78022
|
208
|
DAL AMP
|
0.401515
|
0.793103
|
209
|
AU1
|
0.4
|
0.804598
|
210
|
ADX
|
0.4
|
0.752688
|
211
|
SRA
|
0.4
|
0.784091
|
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
NPI
|
1
|
1
|
2
|
11C
|
0.677419
|
0.961538
|
3
|
UN1
|
0.677419
|
0.961538
|
4
|
DLY
|
0.575758
|
0.733333
|
5
|
API
|
0.566667
|
0.888889
|
6
|
DHH
|
0.558824
|
0.925926
|
7
|
LYS
|
0.558824
|
0.709677
|
8
|
GLU
|
0.53125
|
0.923077
|
9
|
DGL
|
0.53125
|
0.923077
|
10
|
GGL
|
0.53125
|
0.923077
|
11
|
ORN
|
0.515152
|
0.7
|
12
|
ABH
|
0.513514
|
0.625
|
13
|
REZ
|
0.511628
|
0.787879
|
14
|
CBH
|
0.5
|
0.83871
|
15
|
6HN
|
0.5
|
0.619048
|
16
|
NLE
|
0.5
|
0.7
|
17
|
SHR
|
0.488889
|
0.83871
|
18
|
26P
|
0.486486
|
0.862069
|
19
|
PML
|
0.482759
|
0.666667
|
20
|
0L1
|
0.464286
|
0.692308
|
21
|
ALY
|
0.463415
|
0.666667
|
22
|
2NP
|
0.461538
|
0.78125
|
23
|
2JJ
|
0.459459
|
0.657895
|
24
|
5OY
|
0.459459
|
0.657895
|
25
|
ONH
|
0.459459
|
0.621622
|
26
|
EXY
|
0.452381
|
0.685714
|
27
|
DNN
|
0.45
|
0.6875
|
28
|
6CL
|
0.447368
|
0.857143
|
29
|
GLN
|
0.441176
|
0.766667
|
30
|
DGN
|
0.441176
|
0.766667
|
31
|
HSE
|
0.4375
|
0.709677
|
32
|
DAB
|
0.4375
|
0.625
|
33
|
CIR
|
0.435897
|
0.621622
|
34
|
KAP
|
0.435897
|
0.741935
|
35
|
DSD
|
0.431818
|
0.657895
|
36
|
HCS
|
0.424242
|
0.666667
|
37
|
NVA
|
0.424242
|
0.689655
|
38
|
AZ1
|
0.419355
|
0.642857
|
39
|
3O3
|
0.418605
|
0.787879
|
40
|
ONL
|
0.416667
|
0.766667
|
41
|
IKT
|
0.409091
|
0.766667
|
42
|
DAS
|
0.40625
|
0.785714
|
43
|
ASP
|
0.40625
|
0.785714
|
44
|
5CT
|
0.404255
|
0.666667
|
45
|
ACA
|
0.4
|
0.666667
|
This union binding pocket(no: 2) in the query (biounit: 1kgq.bio1) has 47 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 3) in the query (biounit: 1kgq.bio1) has 47 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 5) in the query (biounit: 1kgq.bio1) has 48 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 6) in the query (biounit: 1kgq.bio1) has 48 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
APoc FAQ
|
|