-->
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
FCX
|
1
|
1
|
2
|
FAM
|
0.931624
|
0.988636
|
3
|
COA
|
0.857143
|
0.94382
|
4
|
0T1
|
0.857143
|
0.94382
|
5
|
DCA
|
0.855932
|
0.922222
|
6
|
CAO
|
0.85124
|
0.913043
|
7
|
SCO
|
0.844262
|
0.965909
|
8
|
CMX
|
0.844262
|
0.965909
|
9
|
ETB
|
0.840336
|
0.89011
|
10
|
AMX
|
0.836066
|
0.954545
|
11
|
30N
|
0.836066
|
0.865979
|
12
|
COS
|
0.836066
|
0.923077
|
13
|
MCD
|
0.832
|
0.944444
|
14
|
ACO
|
0.822581
|
0.913043
|
15
|
OXK
|
0.81746
|
0.944444
|
16
|
COK
|
0.81746
|
0.923077
|
17
|
HAX
|
0.816
|
0.923077
|
18
|
CMC
|
0.811024
|
0.944444
|
19
|
FYN
|
0.809524
|
0.94382
|
20
|
3KK
|
0.809524
|
0.923077
|
21
|
MCA
|
0.806202
|
0.934066
|
22
|
SCD
|
0.804688
|
0.965909
|
23
|
SOP
|
0.80315
|
0.923077
|
24
|
CA6
|
0.80315
|
0.84
|
25
|
2CP
|
0.8
|
0.934066
|
26
|
MLC
|
0.79845
|
0.944444
|
27
|
A1S
|
0.79845
|
0.923077
|
28
|
CO6
|
0.796875
|
0.923077
|
29
|
NMX
|
0.796875
|
0.875
|
30
|
1VU
|
0.796875
|
0.913043
|
31
|
2KQ
|
0.793893
|
0.923913
|
32
|
CAJ
|
0.790698
|
0.944444
|
33
|
2MC
|
0.790698
|
0.884211
|
34
|
SCA
|
0.78626
|
0.944444
|
35
|
BCO
|
0.784615
|
0.923077
|
36
|
1HE
|
0.784615
|
0.903226
|
37
|
IVC
|
0.784615
|
0.933333
|
38
|
3HC
|
0.784615
|
0.933333
|
39
|
GRA
|
0.781955
|
0.944444
|
40
|
HGG
|
0.780303
|
0.944444
|
41
|
COF
|
0.780303
|
0.966667
|
42
|
3CP
|
0.780303
|
0.944444
|
43
|
CAA
|
0.778626
|
0.933333
|
44
|
COO
|
0.778626
|
0.923077
|
45
|
YE1
|
0.778626
|
0.933333
|
46
|
MC4
|
0.772727
|
0.875
|
47
|
COW
|
0.766917
|
0.913043
|
48
|
1GZ
|
0.766917
|
0.913043
|
49
|
IRC
|
0.766917
|
0.933333
|
50
|
CA8
|
0.766917
|
0.84
|
51
|
BYC
|
0.766917
|
0.923077
|
52
|
TGC
|
0.762963
|
0.934066
|
53
|
BCA
|
0.761194
|
0.913043
|
54
|
4CA
|
0.761194
|
0.913043
|
55
|
FAQ
|
0.761194
|
0.923077
|
56
|
1CZ
|
0.757353
|
0.934066
|
57
|
S0N
|
0.757353
|
0.944444
|
58
|
CIC
|
0.757353
|
0.944444
|
59
|
HXC
|
0.755556
|
0.903226
|
60
|
0ET
|
0.746377
|
0.903226
|
61
|
2NE
|
0.744526
|
0.903226
|
62
|
CO8
|
0.744526
|
0.903226
|
63
|
1CV
|
0.741007
|
0.944444
|
64
|
MYA
|
0.73913
|
0.903226
|
65
|
DCC
|
0.73913
|
0.903226
|
66
|
ST9
|
0.73913
|
0.903226
|
67
|
UCC
|
0.73913
|
0.903226
|
68
|
MFK
|
0.73913
|
0.903226
|
69
|
0FQ
|
0.73913
|
0.923077
|
70
|
5F9
|
0.73913
|
0.903226
|
71
|
4CO
|
0.73913
|
0.913043
|
72
|
HDC
|
0.735714
|
0.903226
|
73
|
01A
|
0.733813
|
0.924731
|
74
|
MRS
|
0.730496
|
0.903226
|
75
|
MRR
|
0.730496
|
0.903226
|
76
|
CS8
|
0.728571
|
0.893617
|
77
|
WCA
|
0.728571
|
0.903226
|
78
|
NHM
|
0.723404
|
0.903226
|
79
|
4KX
|
0.723404
|
0.893617
|
80
|
UOQ
|
0.723404
|
0.903226
|
81
|
NHW
|
0.723404
|
0.903226
|
82
|
HFQ
|
0.71831
|
0.903226
|
83
|
DAK
|
0.713287
|
0.893617
|
84
|
YNC
|
0.713287
|
0.913043
|
85
|
8Z2
|
0.708333
|
0.893617
|
86
|
NHQ
|
0.69863
|
0.933333
|
87
|
01K
|
0.695946
|
0.923077
|
88
|
COD
|
0.692913
|
0.932584
|
89
|
COT
|
0.691275
|
0.923077
|
90
|
F8G
|
0.691275
|
0.885417
|
91
|
1HA
|
0.689189
|
0.903226
|
92
|
CA3
|
0.682119
|
0.923077
|
93
|
93P
|
0.677419
|
0.934066
|
94
|
CCQ
|
0.671329
|
0.884211
|
95
|
7L1
|
0.666667
|
0.913043
|
96
|
CA5
|
0.660256
|
0.924731
|
97
|
93M
|
0.65625
|
0.934066
|
98
|
UCA
|
0.656051
|
0.903226
|
99
|
CO7
|
0.640845
|
0.923077
|
100
|
OXT
|
0.615385
|
0.865979
|
101
|
5TW
|
0.598837
|
0.865979
|
102
|
4BN
|
0.598837
|
0.865979
|
103
|
PAP
|
0.577586
|
0.784091
|
104
|
BSJ
|
0.575581
|
0.913979
|
105
|
JBT
|
0.573034
|
0.867347
|
106
|
HMG
|
0.562092
|
0.912088
|
107
|
PLM COA
|
0.554839
|
0.87234
|
108
|
COA PLM
|
0.554839
|
0.87234
|
109
|
A3P
|
0.525862
|
0.772727
|
110
|
PPS
|
0.52459
|
0.71134
|
111
|
ASP ASP ASP ILE CMC NH2
|
0.52071
|
0.902174
|
112
|
0WD
|
0.503497
|
0.763441
|
113
|
ACE SER ASP ALY THR NH2 COA
|
0.478261
|
0.902174
|
114
|
RFC
|
0.475904
|
0.903226
|
115
|
SFC
|
0.475904
|
0.903226
|
116
|
191
|
0.474684
|
0.821782
|
117
|
PTJ
|
0.473684
|
0.863636
|
118
|
3AM
|
0.461538
|
0.761364
|
119
|
A22
|
0.450382
|
0.786517
|
120
|
PUA
|
0.447368
|
0.793478
|
121
|
A2D
|
0.446281
|
0.775281
|
122
|
PAJ
|
0.443609
|
0.875
|
123
|
3OD
|
0.441176
|
0.818182
|
124
|
ATR
|
0.440945
|
0.772727
|
125
|
AGS
|
0.440945
|
0.76087
|
126
|
SAP
|
0.440945
|
0.76087
|
127
|
F2R
|
0.436242
|
0.857143
|
128
|
ADP
|
0.435484
|
0.795455
|
129
|
A2R
|
0.431818
|
0.806818
|
130
|
48N
|
0.430556
|
0.802198
|
131
|
BA3
|
0.427419
|
0.775281
|
132
|
OAD
|
0.426471
|
0.818182
|
133
|
NA7
|
0.426471
|
0.829545
|
134
|
HEJ
|
0.425197
|
0.795455
|
135
|
ATP
|
0.425197
|
0.795455
|
136
|
AP5
|
0.424
|
0.775281
|
137
|
B4P
|
0.424
|
0.775281
|
138
|
2A5
|
0.421875
|
0.818182
|
139
|
AR6
|
0.421875
|
0.795455
|
140
|
5FA
|
0.421875
|
0.795455
|
141
|
APR
|
0.421875
|
0.795455
|
142
|
AQP
|
0.421875
|
0.795455
|
143
|
YLB
|
0.421769
|
0.898876
|
144
|
YLP
|
0.42069
|
0.877778
|
145
|
AN2
|
0.420635
|
0.786517
|
146
|
TXA
|
0.42029
|
0.808989
|
147
|
M33
|
0.417323
|
0.786517
|
148
|
ATF
|
0.416667
|
0.829545
|
149
|
9X8
|
0.416058
|
0.78022
|
150
|
ACP
|
0.414062
|
0.797753
|
151
|
SRP
|
0.413534
|
0.829545
|
152
|
ANP
|
0.412214
|
0.777778
|
153
|
ACQ
|
0.412214
|
0.797753
|
154
|
ADQ
|
0.411765
|
0.797753
|
155
|
BIS
|
0.410072
|
0.852273
|
156
|
AT4
|
0.409449
|
0.769231
|
157
|
APU
|
0.409396
|
0.76087
|
158
|
5AL
|
0.409091
|
0.806818
|
159
|
AHX
|
0.408759
|
0.802198
|
160
|
7D3
|
0.408
|
0.766667
|
161
|
NJP
|
0.407895
|
0.78022
|
162
|
AD9
|
0.407692
|
0.777778
|
163
|
25L
|
0.407143
|
0.786517
|
164
|
CA0
|
0.40625
|
0.797753
|
165
|
7D4
|
0.40625
|
0.766667
|
166
|
A A A
|
0.405797
|
0.786517
|
167
|
OMR
|
0.405405
|
0.846154
|
168
|
A2P
|
0.404762
|
0.761364
|
169
|
8QN
|
0.404412
|
0.806818
|
170
|
NDP
|
0.403974
|
0.763441
|
171
|
6YZ
|
0.402985
|
0.797753
|
172
|
WAQ
|
0.402878
|
0.852273
|
173
|
AMO
|
0.40146
|
0.829545
|
174
|
ATP A A A
|
0.401408
|
0.744444
|
175
|
FYA
|
0.4
|
0.786517
|
176
|
1ZZ
|
0.4
|
0.835165
|
177
|
PAX
|
0.4
|
0.768421
|
178
|
ME8
|
0.4
|
0.815217
|
179
|
NB8
|
0.4
|
0.802198
|
180
|
AFH
|
0.4
|
0.833333
|
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
OAA
|
1
|
1
|
2
|
MLI
|
0.5
|
0.666667
|
3
|
3PY
|
0.428571
|
0.681818
|
4
|
2KT
|
0.409091
|
0.684211
|
This union binding pocket(no: 2) in the query (biounit: 1csi.bio1) has 76 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 4) in the query (biounit: 1csi.bio1) has 76 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
APoc FAQ
|
|