Receptor
PDB id Resolution Class Description Source Keywords
2EF9 2 Å EC: 2.5.1.55 STRUCTURAL AND MECHANISTIC CHANGES ALONG AN ENGINEERED PATH METALLO TO NON-METALLO KDO8P SYNTHASE AQUIFEX AEOLICUS KDO KDO8P KDO8PS PEP A5P TRANSFERASE
Ref.: STRUCTURAL AND MECHANISTIC CHANGES ALONG AN ENGINEE FROM METALLO TO NONMETALLO 3-DEOXY-D-MANNO-OCTULOSO 8-PHOSPHATE SYNTHASES BIOCHEMISTRY V. 46 4532 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A5P A:1269;
B:2269;
 Valid;
Valid;
 none;
none;
 Kd = 14.18 uM
232.126 C5 H13 O8 P C([C@...
PEP A:1268;
B:2268;
 Valid;
Valid;
 none;
none;
 submit data
168.042 C3 H5 O6 P C=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NX1 1.8 Å EC: 2.5.1.55 STRUCTURAL AND MECHANISTIC CHANGES ALONG AN ENGINEERED PATH METALLO TO NON-METALLO KDO8P SYNTHASE AQUIFEX AEOLICUS KDO KDO8P KDO8PS PEP A5P RP5 TRANSFERASE
Ref.: STRUCTURAL AND MECHANISTIC CHANGES ALONG AN ENGINEE FROM METALLO TO NONMETALLO 3-DEOXY-D-MANNO-OCTULOSO 8-PHOSPHATE SYNTHASES. BIOCHEMISTRY V. 46 4532 2007
Members (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2A2I Kd = 0.04 uM A5P C5 H13 O8 P C([C@H]([C....
2 1LRQ - PEP C3 H5 O6 P C=C(C(=O)O....
3 1ZJI - R5P C5 H11 O8 P C(C(C(C(C=....
4 1FY6 - A5P C5 H13 O8 P C([C@H]([C....
5 3E12 - KD0 C8 H15 O11 P C([C@H]([C....
6 1ZHA Kd = 0.04 uM PEP C3 H5 O6 P C=C(C(=O)O....
7 2NWS Kd = 5.44 uM A5P C5 H13 O8 P C([C@H]([C....
8 1T8X - PEP C3 H5 O6 P C=C(C(=O)O....
9 2NWR - PEP C3 H5 O6 P C=C(C(=O)O....
10 1FXQ - PEP C3 H5 O6 P C=C(C(=O)O....
11 1FWN - PEP C3 H5 O6 P C=C(C(=O)O....
12 1JCY - PEP C3 H5 O6 P C=C(C(=O)O....
13 1LRO - PEP C3 H5 O6 P C=C(C(=O)O....
14 1PCK - PEZ C4 H9 O6 P CCC(C(=O)O....
15 3E0I - PEP C3 H5 O6 P C=C(C(=O)O....
16 2NXG Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
17 2NXI - PEP C3 H5 O6 P C=C(C(=O)O....
18 2NX3 Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
19 1T96 - PEP C3 H5 O6 P C=C(C(=O)O....
20 2NXH - PEP C3 H5 O6 P C=C(C(=O)O....
21 2EF9 Kd = 14.18 uM A5P C5 H13 O8 P C([C@H]([C....
22 1FWT - E4P C4 H9 O7 P C([C@H]([C....
23 1PE1 - 2PG C3 H7 O7 P C([C@H](C(....
24 2A21 - PEP C3 H5 O6 P C=C(C(=O)O....
25 2NX1 Kd = 0.02 uM RP5 C5 H11 O8 P C([C@@H]1[....
26 1JCX Ki = 7 uM PAI C9 H23 N O13 P2 C([C@H]([C....
27 1FWW - PEP C3 H5 O6 P C=C(C(=O)O....
28 1FWS - PEP C3 H5 O6 P C=C(C(=O)O....
29 1PCW - H4P C7 H19 N O11 P2 C([C@H]([C....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2A2I Kd = 0.04 uM A5P C5 H13 O8 P C([C@H]([C....
2 1LRQ - PEP C3 H5 O6 P C=C(C(=O)O....
3 1ZJI - R5P C5 H11 O8 P C(C(C(C(C=....
4 1FY6 - A5P C5 H13 O8 P C([C@H]([C....
5 3E12 - KD0 C8 H15 O11 P C([C@H]([C....
6 1ZHA Kd = 0.04 uM PEP C3 H5 O6 P C=C(C(=O)O....
7 2NWS Kd = 5.44 uM A5P C5 H13 O8 P C([C@H]([C....
8 1T8X - PEP C3 H5 O6 P C=C(C(=O)O....
9 2NWR - PEP C3 H5 O6 P C=C(C(=O)O....
10 1FXQ - PEP C3 H5 O6 P C=C(C(=O)O....
11 1FWN - PEP C3 H5 O6 P C=C(C(=O)O....
12 1JCY - PEP C3 H5 O6 P C=C(C(=O)O....
13 1LRO - PEP C3 H5 O6 P C=C(C(=O)O....
14 1PCK - PEZ C4 H9 O6 P CCC(C(=O)O....
15 3E0I - PEP C3 H5 O6 P C=C(C(=O)O....
16 2NXG Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
17 2NXI - PEP C3 H5 O6 P C=C(C(=O)O....
18 2NX3 Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
19 1T96 - PEP C3 H5 O6 P C=C(C(=O)O....
20 2NXH - PEP C3 H5 O6 P C=C(C(=O)O....
21 2EF9 Kd = 14.18 uM A5P C5 H13 O8 P C([C@H]([C....
22 1FWT - E4P C4 H9 O7 P C([C@H]([C....
23 1PE1 - 2PG C3 H7 O7 P C([C@H](C(....
24 2A21 - PEP C3 H5 O6 P C=C(C(=O)O....
25 2NX1 Kd = 0.02 uM RP5 C5 H11 O8 P C([C@@H]1[....
26 1JCX Ki = 7 uM PAI C9 H23 N O13 P2 C([C@H]([C....
27 1FWW - PEP C3 H5 O6 P C=C(C(=O)O....
28 1FWS - PEP C3 H5 O6 P C=C(C(=O)O....
29 1PCW - H4P C7 H19 N O11 P2 C([C@H]([C....
50% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PHW Ki = 0.5 mM N C5 H11 O7 P C1[C@@H]([....
2 1G7V Kd = 0.4 uM PAI C9 H23 N O13 P2 C([C@H]([C....
3 4Z1D - PEP C3 H5 O6 P C=C(C(=O)O....
4 2A2I Kd = 0.04 uM A5P C5 H13 O8 P C([C@H]([C....
5 1LRQ - PEP C3 H5 O6 P C=C(C(=O)O....
6 1ZJI - R5P C5 H11 O8 P C(C(C(C(C=....
7 1FY6 - A5P C5 H13 O8 P C([C@H]([C....
8 3E12 - KD0 C8 H15 O11 P C([C@H]([C....
9 1ZHA Kd = 0.04 uM PEP C3 H5 O6 P C=C(C(=O)O....
10 2NWS Kd = 5.44 uM A5P C5 H13 O8 P C([C@H]([C....
11 1T8X - PEP C3 H5 O6 P C=C(C(=O)O....
12 2NWR - PEP C3 H5 O6 P C=C(C(=O)O....
13 1FXQ - PEP C3 H5 O6 P C=C(C(=O)O....
14 1FWN - PEP C3 H5 O6 P C=C(C(=O)O....
15 1JCY - PEP C3 H5 O6 P C=C(C(=O)O....
16 1LRO - PEP C3 H5 O6 P C=C(C(=O)O....
17 1PCK - PEZ C4 H9 O6 P CCC(C(=O)O....
18 3E0I - PEP C3 H5 O6 P C=C(C(=O)O....
19 2NXG Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
20 2NXI - PEP C3 H5 O6 P C=C(C(=O)O....
21 2NX3 Kd = 17 uM A5P C5 H13 O8 P C([C@H]([C....
22 1T96 - PEP C3 H5 O6 P C=C(C(=O)O....
23 2NXH - PEP C3 H5 O6 P C=C(C(=O)O....
24 2EF9 Kd = 14.18 uM A5P C5 H13 O8 P C([C@H]([C....
25 1FWT - E4P C4 H9 O7 P C([C@H]([C....
26 1PE1 - 2PG C3 H7 O7 P C([C@H](C(....
27 2A21 - PEP C3 H5 O6 P C=C(C(=O)O....
28 2NX1 Kd = 0.02 uM RP5 C5 H11 O8 P C([C@@H]1[....
29 1JCX Ki = 7 uM PAI C9 H23 N O13 P2 C([C@H]([C....
30 1FWW - PEP C3 H5 O6 P C=C(C(=O)O....
31 1FWS - PEP C3 H5 O6 P C=C(C(=O)O....
32 1PCW - H4P C7 H19 N O11 P2 C([C@H]([C....
33 3FYP - PEP C3 H5 O6 P C=C(C(=O)O....
34 3FYO - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A5P; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 A5P 1 1
2 DX5 1 1
3 LXP 1 1
4 FQ8 0.794118 0.971429
5 S6P 0.71875 0.970588
6 M2P 0.666667 0.914286
7 GOS 0.666667 0.914286
8 DG6 0.628571 0.971429
9 LX1 0.588235 0.861111
10 M6R 0.552632 0.785714
11 AGP 0.552632 0.785714
12 HG3 0.548387 0.828571
13 R5P 0.540541 0.861111
14 R52 0.540541 0.861111
15 TX4 0.540541 0.659574
16 PA5 0.526316 0.837838
17 R10 0.526316 0.837838
18 G6Q 0.512821 0.861111
19 52L 0.511628 0.680851
20 LG6 0.5 0.837838
21 6PG 0.5 0.837838
22 F6R 0.5 0.916667
23 TG6 0.5 0.916667
24 1GP 0.484848 0.911765
25 G3P 0.484848 0.911765
26 P6T 0.47619 0.888889
27 PAN 0.47619 0.632653
28 I22 0.47619 0.916667
29 2FP 0.47619 0.888889
30 P6F 0.47619 0.888889
31 E4P 0.472222 0.805556
32 KD0 0.465116 0.837838
33 9C2 0.465116 0.62
34 HMS 0.45 0.944444
35 5RP 0.45 0.944444
36 5SP 0.45 0.944444
37 DEZ 0.447368 0.837838
38 DER 0.447368 0.837838
39 H4P 0.444444 0.767442
40 DXP 0.435897 0.763158
41 1NT 0.428571 0.837838
42 RB0 0.428571 0.647059
43 XYL 0.428571 0.647059
44 4TP 0.425 0.704545
45 LRY 0.416667 0.673913
46 PSE 0.416667 0.682927
47 PAI 0.408163 0.711111
48 O1B 0.408163 0.647059
49 RES 0.404762 0.632653
50 RUB 0.404762 0.888889
51 XBP 0.404762 0.888889
Ligand no: 2; Ligand: PEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PEP 1 1
2 UVW 0.44 0.709677
Similar Ligands (3D)
Ligand no: 1; Ligand: A5P; Similar ligands found: 554
No: Ligand Similarity coefficient
1 D6P 0.9495
2 ZEC 0.9419
3 N2M 0.9394
4 EVF 0.9340
5 PLP 0.9318
6 1AE 0.9311
7 4CM 0.9306
8 AM4 0.9245
9 D6G 0.9240
10 TU0 0.9210
11 SG3 0.9208
12 PLR 0.9204
13 61M 0.9204
14 HSX 0.9200
15 SKF 0.9197
16 BCH 0.9196
17 PMP 0.9192
18 JFM 0.9187
19 9GB 0.9177
20 ATX 0.9175
21 TZP 0.9166
22 3W3 0.9164
23 3W6 0.9164
24 RNO 0.9157
25 SNO 0.9150
26 D5X 0.9139
27 K97 0.9130
28 STT 0.9128
29 5OY 0.9127
30 SG2 0.9126
31 4R1 0.9124
32 4NZ 0.9123
33 3VX 0.9121
34 12T 0.9102
35 DHC 0.9093
36 ABF 0.9090
37 MF3 0.9088
38 G6P 0.9082
39 GGG 0.9081
40 XCG 0.9080
41 STX 0.9077
42 4JE 0.9073
43 1X4 0.9071
44 AES 0.9064
45 AZM 0.9061
46 GZ2 0.9059
47 MRU 0.9055
48 EUE 0.9055
49 RP3 0.9053
50 C26 0.9050
51 Z13 0.9048
52 EXD 0.9048
53 GLP 0.9046
54 5LD 0.9045
55 2JJ 0.9042
56 2HC 0.9042
57 IOS 0.9041
58 M6P 0.9040
59 MZM 0.9039
60 PXP 0.9038
61 5GT 0.9034
62 4NP 0.9034
63 363 0.9032
64 TMG 0.9032
65 4MB 0.9031
66 ESX 0.9031
67 GO2 0.9031
68 FBF 0.9031
69 HSA 0.9029
70 N91 0.9029
71 PNP 0.9026
72 M3L 0.9026
73 GO8 0.9025
74 RP5 0.9023
75 TCA 0.9016
76 2FX 0.9015
77 CXH 0.9012
78 BP7 0.9010
79 1F1 0.9006
80 XIZ 0.9006
81 LQ2 0.9006
82 ESP 0.9005
83 428 0.9004
84 PLP PMP 0.9002
85 MD6 0.8999
86 GJK 0.8999
87 MAJ 0.8996
88 1QV 0.8995
89 36E 0.8994
90 API 0.8993
91 MVH 0.8993
92 4XF 0.8989
93 UA5 0.8988
94 3ZB 0.8985
95 F98 0.8984
96 FER 0.8983
97 FF2 0.8983
98 4BY 0.8977
99 8NB 0.8975
100 X48 0.8973
101 2O6 0.8972
102 BG6 0.8969
103 TA6 0.8967
104 HC4 0.8965
105 P7Y 0.8962
106 4BL 0.8961
107 F6P 0.8958
108 IVL 0.8956
109 DJN 0.8955
110 BL0 0.8953
111 LSQ 0.8947
112 9J6 0.8945
113 I2E 0.8944
114 S7J 0.8940
115 S8G 0.8940
116 CTE 0.8938
117 P80 0.8938
118 KYN 0.8937
119 PMV 0.8937
120 1PS 0.8937
121 MP5 0.8936
122 14W 0.8936
123 3W8 0.8935
124 P9E 0.8934
125 N7I 0.8934
126 FOM 0.8933
127 657 0.8927
128 KTW 0.8926
129 PTB 0.8924
130 0SY 0.8920
131 DHM 0.8917
132 PRO GLY 0.8917
133 TBJ 0.8912
134 VFG 0.8912
135 6Q3 0.8912
136 ZHA 0.8911
137 GAE 0.8911
138 KLV 0.8911
139 CFA 0.8910
140 L22 0.8910
141 M1T 0.8910
142 2J3 0.8909
143 ESI 0.8906
144 J6W 0.8906
145 CIY 0.8904
146 EYV 0.8902
147 ZON 0.8902
148 PO6 0.8901
149 2O8 0.8901
150 EPE 0.8901
151 N4E 0.8900
152 N1E 0.8899
153 S0E 0.8898
154 P81 0.8898
155 DZA 0.8897
156 BZ2 0.8897
157 K4V 0.8896
158 SYE 0.8895
159 H4B 0.8894
160 3VS 0.8894
161 QIV 0.8893
162 GNM 0.8893
163 GLY GLY GLY 0.8893
164 4JC 0.8891
165 IAC 0.8889
166 KF5 0.8889
167 88L 0.8888
168 LGT 0.8887
169 ARP 0.8887
170 E8U 0.8886
171 DAH 0.8886
172 V1T 0.8886
173 TRP 0.8885
174 JB8 0.8885
175 2BX 0.8884
176 2OR 0.8883
177 A6P 0.8881
178 XRX 0.8880
179 9ZE 0.8880
180 A7N 0.8879
181 4FE 0.8878
182 4NB 0.8878
183 5DL 0.8876
184 ZZU 0.8876
185 F1X 0.8875
186 ICB 0.8875
187 DA3 0.8874
188 KNA 0.8874
189 6L6 0.8872
190 15N 0.8869
191 EGV 0.8867
192 R20 0.8866
193 1FD 0.8866
194 6FB 0.8865
195 GRF 0.8864
196 NIY 0.8863
197 VC3 0.8862
198 GGB 0.8861
199 MQG 0.8860
200 4NS 0.8860
201 BPY 0.8857
202 ALE 0.8856
203 IL5 0.8856
204 A3M 0.8855
205 MMS 0.8855
206 A5Q 0.8854
207 OOG 0.8852
208 PPY 0.8851
209 PML 0.8851
210 P4F 0.8849
211 PBA 0.8848
212 GRQ 0.8846
213 E7S 0.8845
214 DTR 0.8841
215 HBI 0.8839
216 X0U 0.8839
217 KPC 0.8837
218 BGP 0.8837
219 IOP 0.8836
220 LR5 0.8834
221 TSR 0.8834
222 LUQ 0.8834
223 3PO 0.8834
224 4WL 0.8834
225 ABH 0.8833
226 ARG 0.8833
227 549 0.8833
228 3R4 0.8830
229 SLS 0.8829
230 M4S 0.8827
231 0F3 0.8827
232 7MW 0.8826
233 0HN 0.8826
234 5TY 0.8822
235 PC 0.8820
236 M6D 0.8820
237 MLY 0.8820
238 5WN 0.8819
239 9BF 0.8819
240 UNJ 0.8817
241 NAG 0.8815
242 80G 0.8814
243 NPL 0.8813
244 E9S 0.8812
245 HCA 0.8811
246 L14 0.8807
247 68A 0.8807
248 58X 0.8806
249 ISC 0.8805
250 BQ2 0.8805
251 LZ5 0.8804
252 JP2 0.8804
253 JDN 0.8804
254 KMY 0.8803
255 YI6 0.8803
256 S7G 0.8802
257 6QF 0.8802
258 ANC 0.8802
259 MPV 0.8799
260 8NX 0.8797
261 APS 0.8796
262 7O4 0.8796
263 0CG 0.8796
264 UN1 0.8794
265 64Z 0.8792
266 K82 0.8791
267 GF4 0.8790
268 HNT 0.8789
269 3VR 0.8788
270 ZRK 0.8786
271 DBS 0.8786
272 RYV 0.8786
273 8SZ 0.8786
274 6C4 0.8786
275 27B 0.8783
276 GJP 0.8782
277 BHQ 0.8782
278 IPR 0.8781
279 6J5 0.8779
280 EUH 0.8779
281 3Y7 0.8778
282 6FZ 0.8778
283 5LA 0.8778
284 A5E 0.8777
285 6HN 0.8776
286 F02 0.8776
287 S0A 0.8775
288 AN3 0.8774
289 F4E 0.8774
290 R1P 0.8774
291 463 0.8773
292 11C 0.8771
293 1L5 0.8771
294 4BX 0.8771
295 KDG 0.8770
296 3AE 0.8770
297 54X 0.8769
298 XI7 0.8767
299 LDP 0.8766
300 4TB 0.8763
301 SSC 0.8762
302 FYR 0.8761
303 40F 0.8759
304 Y3L 0.8758
305 X04 0.8758
306 6KT 0.8757
307 ILO 0.8755
308 ALX 0.8754
309 2ZM 0.8754
310 IPE 0.8753
311 S2C 0.8753
312 ALA GLU 0.8752
313 ENW 0.8752
314 CIR 0.8752
315 S0G 0.8751
316 0W1 0.8751
317 1OS 0.8751
318 HHS 0.8751
319 CSN 0.8751
320 5TO 0.8750
321 DAR 0.8750
322 TZM 0.8749
323 492 0.8749
324 QMS 0.8748
325 1HS 0.8747
326 TAG 0.8747
327 2JX 0.8746
328 C82 0.8743
329 BY5 0.8739
330 86L 0.8739
331 R8Y 0.8736
332 LO1 0.8735
333 DED 0.8734
334 PPT 0.8734
335 X1R 0.8732
336 5OO 0.8732
337 IYR 0.8730
338 9FH 0.8729
339 HA5 0.8729
340 S0D 0.8728
341 PTS 0.8727
342 ENV 0.8727
343 NPI 0.8724
344 NOK 0.8723
345 3A9 0.8723
346 Q04 0.8722
347 J4K 0.8722
348 AOS 0.8721
349 XDK 0.8721
350 LPK 0.8720
351 HCT 0.8717
352 FQX 0.8717
353 BZJ 0.8715
354 BGU 0.8715
355 FZM 0.8715
356 0HO 0.8715
357 HPO 0.8715
358 S0W 0.8714
359 GZV 0.8712
360 DI9 0.8711
361 2QC 0.8710
362 4LW 0.8710
363 E79 0.8710
364 9VQ 0.8710
365 3XR 0.8709
366 F06 0.8709
367 EZL 0.8708
368 QME 0.8707
369 OJD 0.8707
370 RD4 0.8707
371 F5C 0.8706
372 R9Y 0.8706
373 CUW 0.8705
374 6HP 0.8704
375 6NI 0.8704
376 YIP 0.8703
377 9YT 0.8701
378 NLQ 0.8699
379 RGP 0.8698
380 5DS 0.8698
381 2JK 0.8698
382 3PG 0.8697
383 AHC 0.8697
384 QBP 0.8697
385 LJ3 0.8695
386 HXY 0.8695
387 4I8 0.8694
388 0JD 0.8693
389 5B2 0.8693
390 92O 0.8692
391 JAW 0.8692
392 6C5 0.8692
393 6ZW 0.8691
394 F4K 0.8690
395 PPN 0.8689
396 HPP 0.8689
397 EXY 0.8689
398 TYR 0.8688
399 M5H 0.8687
400 Q06 0.8685
401 CH9 0.8684
402 6HO 0.8684
403 WT2 0.8684
404 GVY 0.8681
405 SNU 0.8680
406 HCI 0.8678
407 GNW 0.8678
408 VUR 0.8678
409 JA5 0.8677
410 6FG 0.8676
411 A7H 0.8675
412 NLG 0.8675
413 0A1 0.8674
414 MSR 0.8674
415 7UC 0.8673
416 5NI 0.8673
417 505 0.8672
418 ST3 0.8671
419 TB8 0.8668
420 4CF 0.8668
421 2K8 0.8666
422 KYA 0.8666
423 AKG 0.8664
424 ICT 0.8663
425 VFM 0.8662
426 ABI 0.8660
427 HJH 0.8657
428 MXD 0.8657
429 5TT 0.8657
430 C53 0.8654
431 CPZ 0.8654
432 SWX 0.8654
433 REL 0.8654
434 LIP 0.8653
435 NMM 0.8652
436 SB7 0.8652
437 BVA 0.8651
438 1VK 0.8650
439 3D1 0.8648
440 HAR 0.8647
441 GWM 0.8647
442 DTY 0.8646
443 36Y 0.8646
444 HRM 0.8643
445 AHL 0.8641
446 GB5 0.8641
447 2LT 0.8640
448 S3C 0.8640
449 YIE 0.8640
450 3VW 0.8639
451 CLT 0.8639
452 S7D 0.8638
453 IBP 0.8637
454 JAH 0.8636
455 RCV 0.8635
456 S7A 0.8635
457 GCO 0.8634
458 TEG 0.8633
459 0NX 0.8632
460 9NB 0.8631
461 IFG 0.8631
462 6ZX 0.8630
463 2NP 0.8629
464 OQC 0.8627
465 HBO 0.8625
466 PHE 0.8624
467 ANN 0.8624
468 EV2 0.8623
469 G88 0.8620
470 LVD 0.8620
471 4JK 0.8620
472 PFF 0.8618
473 8CC 0.8616
474 LOT 0.8616
475 6NT 0.8614
476 LYS 0.8614
477 AHN 0.8613
478 JBZ 0.8611
479 GDL 0.8610
480 IPD 0.8609
481 0OK 0.8608
482 1BW 0.8608
483 BNL 0.8608
484 HFA 0.8607
485 ENO 0.8606
486 2CZ 0.8606
487 5PV 0.8605
488 DMA 0.8604
489 R2P 0.8603
490 BIO 0.8601
491 PUE 0.8601
492 4BZ 0.8600
493 36M 0.8599
494 G14 0.8599
495 9H2 0.8598
496 54Z 0.8597
497 AMR 0.8596
498 I4D 0.8596
499 EZ1 0.8596
500 259 0.8596
501 CBE 0.8595
502 B41 0.8595
503 YTX 0.8593
504 9FE 0.8593
505 PJW 0.8592
506 5AD 0.8591
507 A5K 0.8589
508 HL4 0.8589
509 2UZ 0.8587
510 MSL 0.8586
511 M5B 0.8584
512 OCA 0.8584
513 SRO 0.8582
514 78Y 0.8582
515 PSJ 0.8582
516 L5V 0.8581
517 RYY 0.8580
518 1FE 0.8580
519 LLH 0.8579
520 AMH 0.8576
521 HLP 0.8576
522 5AB 0.8572
523 DEW 0.8571
524 NDG 0.8568
525 JOV 0.8568
526 OW7 0.8568
527 PH2 0.8566
528 ST2 0.8564
529 ZZA 0.8562
530 N2I 0.8558
531 D9Z 0.8558
532 P93 0.8557
533 8WO 0.8555
534 3D8 0.8555
535 HQJ 0.8555
536 HPT 0.8554
537 PNZ 0.8551
538 S24 0.8550
539 BHI 0.8550
540 26E 0.8538
541 3W1 0.8536
542 4ZA 0.8534
543 DPN 0.8534
544 FIX 0.8532
545 CL9 0.8530
546 VXX 0.8529
547 6FR 0.8529
548 RKN 0.8527
549 PRL 0.8526
550 SOR 0.8524
551 MLZ 0.8520
552 QUS 0.8519
553 B4O 0.8512
554 JTH 0.8511
Ligand no: 2; Ligand: PEP; Similar ligands found: 1058
No: Ligand Similarity coefficient
1 GZ3 1.0000
2 R67 1.0000
3 SPV 1.0000
4 GUN 1.0000
5 X6X 1.0000
6 CIT 1.0000
7 0V5 1.0000
8 ASP 1.0000
9 3SL 0.9982
10 PEQ 0.9969
11 PPR 0.9964
12 LLQ 0.9809
13 PGA 0.9769
14 2PG 0.9722
15 PEZ 0.9713
16 FB2 0.9705
17 PAH 0.9685
18 XSP 0.9684
19 OAA 0.9667
20 1GP 0.9647
21 PMB 0.9638
22 SEP 0.9633
23 AL0 0.9609
24 COI 0.9605
25 FBV 0.9604
26 NM2 0.9603
27 NM3 0.9603
28 X1S 0.9600
29 G3P 0.9589
30 DYA 0.9583
31 MLT 0.9580
32 1SA 0.9579
33 OSE 0.9579
34 2RH 0.9561
35 LMR 0.9561
36 FB1 0.9560
37 CIZ 0.9555
38 13P 0.9550
39 IP8 0.9548
40 40E 0.9547
41 3PP 0.9545
42 TEO 0.9544
43 AKG 0.9539
44 IOM 0.9538
45 KVP 0.9528
46 4LR 0.9527
47 CMS 0.9527
48 AAS 0.9523
49 DGL 0.9521
50 DS0 0.9519
51 SAN 0.9515
52 CRN 0.9511
53 CCD 0.9509
54 ASN 0.9508
55 ITN 0.9507
56 DAS 0.9504
57 GP9 0.9503
58 TSU 0.9500
59 HL5 0.9498
60 PGH 0.9498
61 LEU 0.9494
62 CHH 0.9488
63 3LR 0.9486
64 GLN 0.9483
65 GPF 0.9483
66 GPJ 0.9483
67 NXA 0.9482
68 AHB 0.9480
69 FBW 0.9479
70 3PG 0.9478
71 HG3 0.9478
72 FBS 0.9475
73 ACH 0.9474
74 1SH 0.9462
75 1DV 0.9458
76 4J8 0.9451
77 LTL 0.9447
78 HPS 0.9445
79 G3H 0.9443
80 UGC 0.9440
81 G2H 0.9440
82 GUA 0.9439
83 DGN 0.9437
84 ALA ALA 0.9436
85 AMS 0.9432
86 51R 0.9432
87 SVD 0.9431
88 PSE 0.9431
89 QMP 0.9430
90 XCZ 0.9429
91 JYD 0.9415
92 FCR 0.9413
93 EKZ 0.9411
94 SRT 0.9411
95 HPV 0.9409
96 CCE 0.9407
97 8K2 0.9403
98 A09 0.9402
99 HIO 0.9402
100 GLU 0.9394
101 152 0.9392
102 ICF 0.9390
103 DMV 0.9387
104 GVM 0.9386
105 CYX 0.9386
106 2AS 0.9385
107 RTK 0.9373
108 RHU 0.9370
109 8EW 0.9367
110 TLA 0.9365
111 HBU 0.9363
112 ONL 0.9362
113 GG6 0.9360
114 9ON 0.9357
115 FEH 0.9346
116 DAL DAL 0.9344
117 2HG 0.9344
118 2IT 0.9343
119 GGL 0.9343
120 X0V 0.9341
121 OPE 0.9341
122 S2G 0.9340
123 7N0 0.9337
124 8GL 0.9331
125 4FH 0.9322
126 AT3 0.9316
127 PMF 0.9316
128 ZGL 0.9315
129 OEG 0.9315
130 SIN 0.9310
131 ORN 0.9307
132 EDR 0.9305
133 3S5 0.9305
134 URO 0.9303
135 4SX 0.9299
136 SYC 0.9297
137 PLU 0.9296
138 PAF 0.9293
139 SKG 0.9291
140 PCA 0.9287
141 PC 0.9284
142 RNT 0.9283
143 ISZ 0.9278
144 RNS 0.9277
145 MAE 0.9276
146 NLE 0.9275
147 98J 0.9274
148 FUM 0.9269
149 CFI 0.9264
150 P22 0.9263
151 TAR 0.9260
152 1DQ 0.9258
153 B85 0.9254
154 OEM 0.9251
155 OKG 0.9248
156 6JN 0.9247
157 HX2 0.9244
158 SME 0.9244
159 BNS 0.9243
160 K6V 0.9243
161 SYM 0.9241
162 DHI 0.9238
163 HHI 0.9238
164 DQY 0.9236
165 NMG 0.9234
166 RSO 0.9234
167 URQ 0.9233
168 UY7 0.9231
169 2FT 0.9229
170 SD4 0.9229
171 MDN 0.9229
172 GLY ALA 0.9228
173 KBB 0.9224
174 DBX 0.9223
175 A20 0.9221
176 4MV 0.9218
177 YCP 0.9218
178 2PN 0.9217
179 FOC 0.9216
180 QY9 0.9215
181 HDA 0.9215
182 URP 0.9214
183 IFP 0.9214
184 2CO 0.9214
185 LNO 0.9213
186 SPA 0.9211
187 129 0.9211
188 IHG 0.9209
189 I1E 0.9205
190 BAM 0.9205
191 6PC 0.9203
192 BEN 0.9201
193 BEZ 0.9199
194 PBC 0.9199
195 HYP 0.9197
196 ILE 0.9197
197 FCN 0.9195
198 SMN 0.9192
199 PAC 0.9192
200 KPL 0.9191
201 HZP 0.9191
202 OGA 0.9188
203 RMN 0.9187
204 FLA 0.9187
205 TPA 0.9187
206 PG3 0.9186
207 EYK 0.9183
208 NCA 0.9179
209 SS2 0.9177
210 KMH 0.9177
211 4NG 0.9176
212 SS1 0.9174
213 PZI 0.9173
214 TPO 0.9173
215 49F 0.9172
216 K5W 0.9172
217 I4B 0.9169
218 XLS 0.9169
219 0OC 0.9167
220 S0H 0.9167
221 QSC 0.9166
222 MUC 0.9166
223 NIO 0.9163
224 1P3 0.9163
225 DYT 0.9159
226 PHB 0.9159
227 PZA 0.9159
228 PPV 0.9159
229 SC2 0.9157
230 PIS 0.9157
231 MLE 0.9156
232 QDK 0.9155
233 BHO 0.9154
234 PHU 0.9153
235 3HG 0.9152
236 NPO 0.9152
237 URS 0.9150
238 TIU 0.9150
239 PAB 0.9150
240 PRO 0.9149
241 PBZ 0.9147
242 NIZ 0.9144
243 GRO 0.9143
244 KVV 0.9142
245 3OC 0.9141
246 GLY GLY 0.9141
247 MED 0.9141
248 0VT 0.9140
249 M58 0.9140
250 RBL 0.9137
251 VGL 0.9136
252 E4P 0.9134
253 GAB 0.9134
254 UNU 0.9132
255 HIS 0.9131
256 MRZ 0.9131
257 4CS 0.9130
258 HSE 0.9129
259 IZC 0.9129
260 FSG 0.9128
261 53C 0.9127
262 OTR 0.9127
263 POP 0.9127
264 IXW 0.9126
265 5FX 0.9125
266 51F 0.9125
267 OK7 0.9123
268 FBM 0.9123
269 7VD 0.9123
270 LFC 0.9122
271 C21 0.9121
272 THE 0.9121
273 AC0 0.9119
274 9X6 0.9119
275 3MV 0.9119
276 NTN 0.9119
277 PO6 0.9118
278 8GC 0.9118
279 9RW 0.9115
280 MEV 0.9115
281 R9M 0.9114
282 HBD 0.9113
283 1Y6 0.9112
284 GBD 0.9112
285 INO 0.9111
286 C5A 0.9110
287 3V4 0.9110
288 8OZ 0.9109
289 7A8 0.9108
290 SHF 0.9108
291 NBZ 0.9108
292 ODV 0.9107
293 AC6 0.9106
294 UYA 0.9106
295 XYL 0.9105
296 RB5 0.9105
297 RB0 0.9105
298 FK8 0.9101
299 3AB 0.9101
300 GJZ 0.9100
301 SOR 0.9100
302 3BZ 0.9099
303 NSB 0.9099
304 TFB 0.9099
305 TIH 0.9099
306 R9S 0.9098
307 HSO 0.9098
308 LY0 0.9098
309 MET 0.9098
310 2D8 0.9094
311 3NT 0.9094
312 XUL 0.9093
313 OHP 0.9092
314 DAB 0.9092
315 7WG 0.9090
316 ASC 0.9089
317 BE2 0.9089
318 3HB 0.9088
319 M3H 0.9086
320 OVV 0.9085
321 DCO 0.9085
322 MXN 0.9084
323 K34 0.9083
324 ROR 0.9083
325 MPD 0.9083
326 M45 0.9081
327 9X7 0.9080
328 60P 0.9079
329 FBJ 0.9079
330 NMJ 0.9077
331 3FH 0.9076
332 PCT 0.9075
333 SAL 0.9075
334 14J 0.9075
335 M4T 0.9074
336 RAT 0.9074
337 EHM 0.9073
338 NNO 0.9071
339 K7M 0.9069
340 GWM 0.9069
341 LNR 0.9067
342 HY3 0.9066
343 DHB 0.9065
344 TZL 0.9065
345 ZBT 0.9065
346 5HN 0.9065
347 93K 0.9065
348 SAT 0.9064
349 H95 0.9063
350 4NC 0.9063
351 JKE 0.9063
352 WCE 0.9062
353 NVA 0.9060
354 AOS 0.9060
355 449 0.9059
356 6M4 0.9058
357 3U4 0.9057
358 RUJ 0.9056
359 P72 0.9054
360 M6W 0.9053
361 69O 0.9052
362 ISD 0.9051
363 HDH 0.9049
364 273 0.9047
365 HMS 0.9047
366 173 0.9047
367 APG 0.9047
368 4MA 0.9044
369 54D 0.9043
370 FBU 0.9043
371 LYS 0.9042
372 MYJ 0.9042
373 23B 0.9041
374 Z82 0.9041
375 41K 0.9040
376 MTL 0.9040
377 SW7 0.9039
378 B40 0.9039
379 BE7 0.9036
380 9YT 0.9036
381 FQI 0.9036
382 9YL 0.9035
383 JZ7 0.9033
384 4A3 0.9032
385 HGA 0.9032
386 HCS 0.9031
387 BRT 0.9030
388 XX2 0.9030
389 MNN 0.9030
390 FOM 0.9029
391 R2P 0.9028
392 F9P 0.9027
393 IT2 0.9027
394 HBA 0.9027
395 FHB 0.9026
396 CP 0.9026
397 2HO 0.9025
398 9TW 0.9023
399 HYA 0.9023
400 TAG 0.9023
401 826 0.9021
402 TB6 0.9021
403 XBT 0.9020
404 XXG 0.9020
405 7BC 0.9018
406 P9P 0.9017
407 DCL 0.9017
408 9SE 0.9016
409 3HM 0.9015
410 DE5 0.9015
411 PRS 0.9015
412 5XB 0.9015
413 4JC 0.9013
414 TZC 0.9013
415 4SV 0.9012
416 VNJ 0.9012
417 1DJ 0.9011
418 45L 0.9011
419 3HP 0.9011
420 WOT 0.9010
421 K6H 0.9009
422 4JT 0.9009
423 TZE 0.9007
424 3YP 0.9005
425 23J 0.9004
426 I2M 0.9004
427 AC5 0.9002
428 MSE 0.9001
429 THR 0.9001
430 BZ3 0.9001
431 DHS 0.9000
432 MD0 0.9000
433 FP1 0.8999
434 3SK 0.8998
435 FAN 0.8998
436 CXF 0.8997
437 MZT 0.8996
438 ES6 0.8996
439 069 0.8994
440 KMT 0.8993
441 JZ5 0.8992
442 GOJ 0.8992
443 VAH 0.8990
444 T2C 0.8990
445 8EZ 0.8990
446 XX3 0.8990
447 KIV 0.8989
448 QSB 0.8989
449 2AL 0.8988
450 1WD 0.8986
451 IQ0 0.8986
452 3BU 0.8984
453 NCT 0.8982
454 RJY 0.8981
455 FBT 0.8981
456 FA1 0.8980
457 JLZ 0.8979
458 PAE 0.8978
459 CHB 0.8977
460 AHN 0.8977
461 2TQ 0.8977
462 SDD 0.8976
463 OXQ 0.8975
464 AEG 0.8974
465 5OB 0.8972
466 265 0.8971
467 7WV 0.8971
468 2PC 0.8969
469 DPR 0.8969
470 SHA 0.8966
471 RIP 0.8966
472 I38 0.8965
473 174 0.8963
474 IPM 0.8962
475 TP5 0.8962
476 PEA 0.8961
477 IHB 0.8960
478 NK2 0.8958
479 5AC 0.8957
480 M4S 0.8957
481 4P5 0.8956
482 S8V 0.8955
483 4HP 0.8955
484 L99 0.8955
485 HY1 0.8954
486 SKM 0.8954
487 BAE 0.8954
488 ARB 0.8954
489 HCI 0.8953
490 0MK 0.8952
491 XM0 0.8951
492 OAF 0.8951
493 4XR 0.8949
494 SMV 0.8949
495 PIM 0.8948
496 HHH 0.8947
497 GYE 0.8947
498 1AB 0.8947
499 SKJ 0.8946
500 J9T 0.8946
501 KTA 0.8945
502 VAL 0.8944
503 CN0 0.8943
504 BZX 0.8943
505 FUD 0.8941
506 GAG 0.8940
507 SOL 0.8940
508 DPN 0.8939
509 GTQ 0.8939
510 KDG 0.8939
511 PIY 0.8936
512 AG2 0.8936
513 JBN 0.8936
514 PYC 0.8935
515 PEL 0.8934
516 FA0 0.8933
517 PHE 0.8932
518 HF2 0.8931
519 HPA 0.8927
520 7MU 0.8926
521 MAK 0.8926
522 5NU 0.8925
523 F60 0.8923
524 271 0.8923
525 4P0 0.8922
526 R2B 0.8922
527 GLO 0.8921
528 261 0.8919
529 A13 0.8917
530 269 0.8917
531 DHM 0.8915
532 CDV 0.8914
533 1LN 0.8913
534 GTK 0.8912
535 MNM 0.8912
536 92K 0.8911
537 XRG 0.8911
538 HFA 0.8907
539 MEQ 0.8907
540 CXP 0.8906
541 GLL 0.8906
542 14O 0.8905
543 5H1 0.8905
544 DOB 0.8904
545 N4B 0.8903
546 IDM 0.8903
547 9J3 0.8902
548 OVM 0.8902
549 DAV 0.8901
550 B3U 0.8900
551 SNE 0.8900
552 9DG 0.8900
553 6AI 0.8898
554 IP0 0.8897
555 H42 0.8897
556 2K4 0.8896
557 5MI 0.8896
558 BCU 0.8896
559 6OT 0.8895
560 3MB 0.8892
561 54G 0.8890
562 FPY 0.8889
563 ZXD 0.8888
564 Q88 0.8888
565 UFV 0.8887
566 3QM 0.8887
567 5RG 0.8886
568 911 0.8885
569 5MB 0.8884
570 J0Z 0.8884
571 J9Q 0.8884
572 97T 0.8883
573 9TY 0.8883
574 EDG 0.8882
575 T9G 0.8882
576 PSJ 0.8879
577 FOA 0.8878
578 717 0.8878
579 RIB 0.8876
580 5M0 0.8875
581 6NA 0.8875
582 JBE 0.8875
583 5CU 0.8874
584 258 0.8874
585 DHY 0.8873
586 5XC 0.8870
587 Q07 0.8870
588 23W 0.8868
589 5HY 0.8867
590 OW4 0.8867
591 LPK 0.8867
592 MJ2 0.8866
593 BHA 0.8864
594 KOJ 0.8864
595 11S 0.8864
596 2LP 0.8861
597 DII 0.8860
598 HSM 0.8859
599 PRA 0.8856
600 G8M 0.8856
601 PYD 0.8856
602 2FY 0.8856
603 4FA 0.8854
604 LER 0.8854
605 7HP 0.8854
606 X1R 0.8853
607 DHK 0.8851
608 Z6J 0.8851
609 SJ5 0.8851
610 CSS 0.8851
611 4M0 0.8849
612 ABU 0.8847
613 MWP 0.8847
614 YRL 0.8846
615 52C 0.8845
616 3AL 0.8844
617 ES9 0.8844
618 6CS 0.8844
619 Q02 0.8843
620 HTX 0.8842
621 FAC 0.8841
622 4WL 0.8839
623 ASO 0.8839
624 ABV 0.8838
625 SIF 0.8837
626 6M9 0.8836
627 IND 0.8835
628 PKU 0.8834
629 5QY 0.8834
630 IMR 0.8834
631 XYS 0.8834
632 AEF 0.8833
633 JB5 0.8833
634 BHH 0.8832
635 HMU 0.8832
636 LEA 0.8831
637 LDP 0.8830
638 9TZ 0.8830
639 PBE 0.8830
640 JZ4 0.8829
641 FYU 0.8829
642 L3Q 0.8828
643 FUL 0.8828
644 Q03 0.8827
645 N2Z 0.8826
646 PPY 0.8826
647 COU 0.8825
648 H4N 0.8825
649 0HN 0.8824
650 LZ1 0.8824
651 FPK 0.8824
652 NFQ 0.8823
653 TH7 0.8823
654 SOE 0.8823
655 4ZA 0.8822
656 4VP 0.8822
657 HL4 0.8821
658 JAE 0.8820
659 8H8 0.8820
660 ADE 0.8820
661 192 0.8819
662 XYP 0.8819
663 ORO 0.8817
664 MPI 0.8817
665 DOR 0.8817
666 DGJ 0.8816
667 WBU 0.8816
668 IFM 0.8816
669 URF 0.8816
670 BNF 0.8815
671 MRY 0.8815
672 KBZ 0.8813
673 5MK 0.8813
674 IF7 0.8813
675 HBX 0.8813
676 G4D 0.8813
677 1DU 0.8812
678 JZ9 0.8811
679 TYE 0.8810
680 TYL 0.8808
681 03V 0.8807
682 FK1 0.8807
683 SYG 0.8806
684 BZI 0.8805
685 2MH 0.8803
686 F05 0.8802
687 AKB 0.8801
688 TDR 0.8801
689 1PT 0.8801
690 1P7 0.8800
691 DPF 0.8800
692 NF3 0.8800
693 1F1 0.8799
694 ALO 0.8799
695 OCH 0.8798
696 NK1 0.8798
697 2ZM 0.8798
698 AMC 0.8797
699 N8P 0.8797
700 FUF 0.8795
701 ABN 0.8795
702 2AQ 0.8794
703 0R1 0.8793
704 GLA 0.8793
705 RM1 0.8792
706 1LQ 0.8792
707 ABE 0.8790
708 BDF 0.8790
709 DEN 0.8789
710 IPB 0.8788
711 FRU 0.8787
712 JAB 0.8786
713 D1X 0.8786
714 6NT 0.8786
715 0HO 0.8786
716 6NI 0.8786
717 2CK 0.8784
718 MR1 0.8783
719 BMA 0.8783
720 RUU 0.8783
721 AHR 0.8781
722 IT9 0.8780
723 BZF 0.8780
724 BML 0.8780
725 5NI 0.8777
726 3HA 0.8777
727 4FS 0.8776
728 GVH 0.8774
729 R1X 0.8774
730 ES5 0.8773
731 1X4 0.8773
732 10L 0.8773
733 GAF 0.8773
734 AMH 0.8769
735 5DI 0.8769
736 IFL 0.8768
737 GCO 0.8767
738 OVP 0.8767
739 1MC 0.8767
740 4SD 0.8767
741 BP1 0.8766
742 RBJ 0.8764
743 JFJ 0.8764
744 SYN 0.8764
745 5B1 0.8763
746 MCT 0.8763
747 SX1 0.8761
748 F31 0.8761
749 FUB 0.8761
750 2FG 0.8761
751 H76 0.8760
752 AX7 0.8759
753 270 0.8759
754 24B 0.8758
755 4ZE 0.8758
756 J9N 0.8758
757 282 0.8758
758 2AC 0.8757
759 3NY 0.8755
760 MWM 0.8755
761 4JP 0.8754
762 PRZ 0.8754
763 FBA 0.8753
764 DMD 0.8753
765 5WV 0.8753
766 8NY 0.8753
767 MZW 0.8753
768 QUS 0.8751
769 SER 0.8751
770 DFU 0.8750
771 1DW 0.8748
772 6MP 0.8748
773 XAN 0.8748
774 4CH 0.8748
775 4JL 0.8747
776 NOJ 0.8746
777 HH5 0.8746
778 GZL 0.8745
779 PG0 0.8745
780 ABI 0.8745
781 SSN 0.8745
782 3DY 0.8745
783 0RW 0.8744
784 HHA 0.8744
785 APY 0.8744
786 DBH 0.8744
787 HQJ 0.8744
788 2F6 0.8743
789 ZZT 0.8743
790 GLC 0.8742
791 3ID 0.8741
792 M1A 0.8741
793 DTL 0.8741
794 HMH 0.8740
795 EA1 0.8739
796 7WA 0.8739
797 A1U 0.8739
798 BP9 0.8738
799 LDU 0.8737
800 2MP 0.8736
801 4JM 0.8735
802 LRH 0.8735
803 2KT 0.8735
804 E5X 0.8734
805 GAL 0.8734
806 RSF 0.8734
807 CTS 0.8733
808 XYD 0.8733
809 QUZ 0.8732
810 DA4 0.8731
811 2MI 0.8729
812 OMD 0.8729
813 B09 0.8728
814 0CT 0.8728
815 34A 0.8728
816 DHR 0.8727
817 OXC 0.8727
818 9DA 0.8726
819 1SP 0.8725
820 LT2 0.8724
821 ES2 0.8722
822 FPI 0.8721
823 SWA 0.8720
824 I3A 0.8720
825 KYD 0.8719
826 ICP 0.8719
827 XBZ 0.8719
828 FUC 0.8719
829 DSN 0.8719
830 PY7 0.8718
831 F1A 0.8718
832 3DO 0.8717
833 67N 0.8716
834 XIY 0.8716
835 3A9 0.8716
836 NPY 0.8715
837 FCA 0.8715
838 3PF 0.8715
839 BGC 0.8715
840 9EW 0.8714
841 2BG 0.8714
842 2HQ 0.8713
843 ODO 0.8713
844 TTL 0.8713
845 4JU 0.8713
846 34D 0.8711
847 PBA 0.8710
848 XQ0 0.8709
849 ES0 0.8709
850 5MH 0.8709
851 1MR 0.8708
852 3M0 0.8707
853 TH0 0.8706
854 GBN 0.8705
855 ES7 0.8704
856 4CL 0.8703
857 N7P 0.8702
858 9HX 0.8701
859 O7U 0.8701
860 ET2 0.8700
861 FW5 0.8700
862 IPZ 0.8700
863 HC4 0.8700
864 EOU 0.8699
865 MAN 0.8698
866 MAJ 0.8697
867 2HU 0.8697
868 36E 0.8697
869 JZ2 0.8697
870 3C4 0.8697
871 3PY 0.8697
872 PYF 0.8696
873 2DR 0.8696
874 CWM 0.8696
875 CTL 0.8695
876 M44 0.8694
877 TMH 0.8694
878 36R 0.8691
879 VNL 0.8691
880 KKN 0.8689
881 HX3 0.8688
882 1P8 0.8688
883 42J 0.8688
884 4JJ 0.8688
885 FBB 0.8687
886 VGD 0.8687
887 4PN 0.8687
888 2D0 0.8687
889 43M 0.8687
890 2BX 0.8687
891 JF6 0.8686
892 AZA 0.8685
893 DMJ 0.8684
894 PM6 0.8683
895 E7Z 0.8680
896 ES4 0.8679
897 CYS 0.8679
898 RAM 0.8679
899 CLW 0.8678
900 5RN 0.8678
901 32O 0.8677
902 NBE 0.8676
903 FA3 0.8676
904 OHG 0.8676
905 3F0 0.8675
906 YIO 0.8674
907 TM7 0.8674
908 LXC 0.8674
909 PLQ 0.8673
910 GDE 0.8672
911 MS9 0.8672
912 GVG 0.8671
913 MZG 0.8670
914 RUY 0.8669
915 K2T 0.8669
916 ANN 0.8669
917 NSP 0.8667
918 6TZ 0.8666
919 NK 0.8666
920 9RH 0.8665
921 4NM 0.8664
922 HQE 0.8664
923 1M2 0.8663
924 JAW 0.8662
925 PYJ 0.8661
926 JZ3 0.8660
927 SN4 0.8659
928 BTE 0.8659
929 BTM 0.8659
930 IWT 0.8659
931 264 0.8658
932 SVN 0.8658
933 B0D 0.8658
934 MLI 0.8658
935 HDL 0.8657
936 8WO 0.8656
937 4HO 0.8656
938 RM4 0.8656
939 B24 0.8655
940 F9Y 0.8654
941 AW5 0.8653
942 J1Z 0.8647
943 ISN 0.8646
944 86J 0.8645
945 C2B 0.8645
946 BDP 0.8644
947 PNZ 0.8644
948 7W4 0.8643
949 CPZ 0.8642
950 0R0 0.8641
951 F4E 0.8640
952 LGC 0.8640
953 CFP 0.8639
954 HQY 0.8638
955 IVA 0.8638
956 64K 0.8637
957 HT4 0.8633
958 6FZ 0.8632
959 FPN 0.8632
960 AGK 0.8631
961 4BZ 0.8630
962 R8V 0.8628
963 SF9 0.8627
964 ARW 0.8627
965 R20 0.8627
966 ARA 0.8626
967 4Z4 0.8624
968 LCN 0.8623
969 4PW 0.8623
970 280 0.8621
971 GIF 0.8621
972 141 0.8621
973 286 0.8619
974 5SG 0.8619
975 ICO 0.8618
976 AZF 0.8617
977 149 0.8616
978 JBK 0.8612
979 QWN 0.8612
980 3HL 0.8611
981 5IQ 0.8610
982 2CL 0.8609
983 QIC 0.8608
984 MSR 0.8607
985 4YS 0.8606
986 5Q0 0.8606
987 BPN 0.8604
988 1SQ 0.8604
989 TZF 0.8604
990 MLA 0.8603
991 36Y 0.8602
992 4JQ 0.8602
993 AOT 0.8601
994 JPZ 0.8599
995 N5J 0.8598
996 ECE 0.8597
997 Q6T 0.8597
998 24W 0.8596
999 QSH 0.8596
1000 BNL 0.8596
1001 2YU 0.8594
1002 DGY 0.8594
1003 259 0.8594
1004 PA1 0.8594
1005 5QX 0.8594
1006 PAV 0.8593
1007 6F0 0.8592
1008 TNE 0.8592
1009 KBG 0.8588
1010 1WC 0.8588
1011 FCB 0.8586
1012 LSA 0.8584
1013 HX4 0.8583
1014 A2F 0.8582
1015 C2A 0.8582
1016 PH3 0.8580
1017 3PO 0.8580
1018 GCS 0.8579
1019 4YO 0.8579
1020 DX4 0.8578
1021 S76 0.8575
1022 D48 0.8575
1023 AZG 0.8573
1024 QXW 0.8573
1025 PDC 0.8572
1026 3Z8 0.8569
1027 278 0.8568
1028 ADA 0.8565
1029 SNU 0.8562
1030 CGB 0.8561
1031 NDH 0.8560
1032 TAU 0.8559
1033 1WG 0.8557
1034 0JD 0.8556
1035 GTR 0.8554
1036 P2D 0.8553
1037 IPU 0.8553
1038 3XX 0.8552
1039 ALL 0.8547
1040 IGA 0.8546
1041 2ZV 0.8545
1042 R8A 0.8544
1043 JDN 0.8544
1044 M2K 0.8543
1045 2RA 0.8542
1046 COM 0.8539
1047 25W 0.8535
1048 A3B 0.8532
1049 1AL 0.8531
1050 PTO 0.8531
1051 1NP 0.8530
1052 MLM 0.8529
1053 PD2 0.8528
1054 DBB 0.8524
1055 0F9 0.8518
1056 CHT 0.8515
1057 GXY 0.8513
1058 JB8 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NX1; Ligand: PEP; Similar sites found with APoc: 9
This union binding pocket(no: 1) in the query (biounit: 2nx1.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1RZM PEP 45.3184
2 3TFC PEP 46.4419
3 3TFC PEP 46.4419
4 4C1K PEP 48.0916
5 4C1K PEP 48.0916
6 4C1K PEP 48.0916
7 4C1K PEP 48.0916
8 4C1K PEP 48.0916
9 4C1K PEP 48.0916
Pocket No.: 2; Query (leader) PDB : 2NX1; Ligand: PEP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2nx1.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2NX1; Ligand: RP5; Similar sites found with APoc: 9
This union binding pocket(no: 3) in the query (biounit: 2nx1.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1RZM PEP 45.3184
2 3TFC PEP 46.4419
3 3TFC PEP 46.4419
4 4C1K PEP 48.0916
5 4C1K PEP 48.0916
6 4C1K PEP 48.0916
7 4C1K PEP 48.0916
8 4C1K PEP 48.0916
9 4C1K PEP 48.0916
Pocket No.: 4; Query (leader) PDB : 2NX1; Ligand: RP5; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2nx1.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2NX1; Ligand: PEP; Similar sites found with APoc: 9
This union binding pocket(no: 5) in the query (biounit: 2nx1.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1RZM PEP 45.3184
2 3TFC PEP 46.4419
3 3TFC PEP 46.4419
4 4C1K PEP 48.0916
5 4C1K PEP 48.0916
6 4C1K PEP 48.0916
7 4C1K PEP 48.0916
8 4C1K PEP 48.0916
9 4C1K PEP 48.0916
Pocket No.: 6; Query (leader) PDB : 2NX1; Ligand: PEP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2nx1.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2NX1; Ligand: RP5; Similar sites found with APoc: 9
This union binding pocket(no: 7) in the query (biounit: 2nx1.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1RZM PEP 45.3184
2 3TFC PEP 46.4419
3 3TFC PEP 46.4419
4 4C1K PEP 48.0916
5 4C1K PEP 48.0916
6 4C1K PEP 48.0916
7 4C1K PEP 48.0916
8 4C1K PEP 48.0916
9 4C1K PEP 48.0916