Receptor
PDB id Resolution Class Description Source Keywords
4XIS 1.6 Å EC: 5.3.1.5 A METAL-MEDIATED HYDRIDE SHIFT MECHANISM FOR XYLOSE ISOMERAS THE 1.6 ANGSTROMS STREPTOMYCES RUBIGINOSUS STRUCTURES WITH A ND D-XYLOSE STREPTOMYCES RUBIGINOSUS ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)
Ref.: A METAL-MEDIATED HYDRIDE SHIFT MECHANISM FOR XYLOSE ISOMERASE BASED ON THE 1.6 A STREPTOMYCES RUBIGINOS STRUCTURES WITH XYLITOL AND D-XYLOSE. PROTEINS V. 9 153 1991
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:391;
A:392;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
XLS A:393;
 Valid;
 none;
 submit data
150.13 C5 H10 O5 C([C@...
XYS A:394;
 Valid;
 none;
 submit data
150.13 C5 H10 O5 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GYI 1.6 Å EC: 5.3.1.5 DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT XYLOSE I INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-C RYSTALLOGRAPHIC STRUCTURE OF THE ENZYME-INHIBITOR COMPLEX STREPTOMYCES OLIVOCHROMOGENES ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)
Ref.: DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT ISOMERASE INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC STRUCTURE OF ENZYME-INHIBITOR COMPLEX BIOCHEMISTRY V. 34 3742 1995
Members (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1S5M - GLC C6 H12 O6 C([C@@H]1[....
2 3KBM - GLC C6 H12 O6 C([C@@H]1[....
3 4QEH - 32O C5 H10 O5 C([C@H]1[C....
4 3U3H - 03W C3 H8 O4 C([C@H](C(....
5 1XID - ASC C6 H8 O6 C([C@@H]([....
6 4DUO - XYL C5 H12 O5 C([C@@H](C....
7 4QE5 - RUU C5 H10 O5 C1[C@@H]([....
8 6RNF - GLC C6 H12 O6 C([C@@H]1[....
9 1XIH - SOR C6 H14 O6 C([C@@H]([....
10 4ZBC - GLC C6 H12 O6 C([C@@H]1[....
11 4QEE - Z6J C5 H10 O5 C([C@H]1[C....
12 1XIG - XYL C5 H12 O5 C([C@@H](C....
13 1XYC - 3MF C7 H14 O6 CO[C@@H]([....
14 5ZYE - GLC C6 H12 O6 C([C@@H]1[....
15 2XIS - XYL C5 H12 O5 C([C@@H](C....
16 1XYM - GLO C6 H12 O6 C([C@H]([C....
17 8XIA - XLS C5 H10 O5 C([C@H]([C....
18 1XIJ - THE C4 H7 O5 C([C@H]([C....
19 4XIS - XLS C5 H10 O5 C([C@H]([C....
20 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
21 1XIC - XLS C5 H10 O5 C([C@H]([C....
22 1XII - XUL C5 H10 O5 C([C@H]([C....
23 6QNI - GLC C6 H12 O6 C([C@@H]1[....
24 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
25 1XYB - GLO C6 H12 O6 C([C@H]([C....
26 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
27 6QNJ - GLC C6 H12 O6 C([C@@H]1[....
28 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
29 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
30 2GYI Ki < 100 nM HYA C4 H9 N O5 C([C@H]([C....
31 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
32 6RND - GLC C6 H12 O6 C([C@@H]1[....
33 1S5N - XYL C5 H12 O5 C([C@@H](C....
34 1XIF - GLC C6 H12 O6 C([C@@H]1[....
35 3XIS - XLS C5 H10 O5 C([C@H]([C....
36 6QND - GLO C6 H12 O6 C([C@H]([C....
37 1XIE - ASO C6 H12 O5 C1[C@@H]([....
38 3KBN - GLO C6 H12 O6 C([C@H]([C....
39 6QNC - GLC C6 H12 O6 C([C@@H]1[....
70% Homology Family (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1S5M - GLC C6 H12 O6 C([C@@H]1[....
2 3KBM - GLC C6 H12 O6 C([C@@H]1[....
3 4QEH - 32O C5 H10 O5 C([C@H]1[C....
4 3U3H - 03W C3 H8 O4 C([C@H](C(....
5 1XID - ASC C6 H8 O6 C([C@@H]([....
6 4DUO - XYL C5 H12 O5 C([C@@H](C....
7 4QE5 - RUU C5 H10 O5 C1[C@@H]([....
8 6RNF - GLC C6 H12 O6 C([C@@H]1[....
9 1XIH - SOR C6 H14 O6 C([C@@H]([....
10 4ZBC - GLC C6 H12 O6 C([C@@H]1[....
11 4QEE - Z6J C5 H10 O5 C([C@H]1[C....
12 1XIG - XYL C5 H12 O5 C([C@@H](C....
13 1XYC - 3MF C7 H14 O6 CO[C@@H]([....
14 5ZYE - GLC C6 H12 O6 C([C@@H]1[....
15 2XIS - XYL C5 H12 O5 C([C@@H](C....
16 1XYM - GLO C6 H12 O6 C([C@H]([C....
17 8XIA - XLS C5 H10 O5 C([C@H]([C....
18 1XIJ - THE C4 H7 O5 C([C@H]([C....
19 4XIS - XLS C5 H10 O5 C([C@H]([C....
20 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
21 1XIC - XLS C5 H10 O5 C([C@H]([C....
22 1XII - XUL C5 H10 O5 C([C@H]([C....
23 6QNI - GLC C6 H12 O6 C([C@@H]1[....
24 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
25 1XYB - GLO C6 H12 O6 C([C@H]([C....
26 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
27 6QNJ - GLC C6 H12 O6 C([C@@H]1[....
28 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
29 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
30 2GYI Ki < 100 nM HYA C4 H9 N O5 C([C@H]([C....
31 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
32 6RND - GLC C6 H12 O6 C([C@@H]1[....
33 1S5N - XYL C5 H12 O5 C([C@@H](C....
34 1XIF - GLC C6 H12 O6 C([C@@H]1[....
35 3XIS - XLS C5 H10 O5 C([C@H]([C....
36 6QND - GLO C6 H12 O6 C([C@H]([C....
37 1XIE - ASO C6 H12 O5 C1[C@@H]([....
38 3KBN - GLO C6 H12 O6 C([C@H]([C....
39 6QNC - GLC C6 H12 O6 C([C@@H]1[....
40 1DID - DIG C6 H13 N O4 C([C@H]1[C....
41 1XLC - XYL C5 H12 O5 C([C@@H](C....
42 1XLJ - XYL C5 H12 O5 C([C@@H](C....
43 1DIE - NOJ C6 H13 N O4 C1[C@@H]([....
44 1XLF - GCO C6 H12 O7 C([C@H]([C....
45 4XIA - SOR C6 H14 O6 C([C@@H]([....
46 1XLM - XYL C5 H12 O5 C([C@@H](C....
47 5XIA - XYL C5 H12 O5 C([C@@H](C....
48 1XLI Ki = 33 mM GLT C6 H12 O5 S C([C@@H]1[....
49 1XLG - XYL C5 H12 O5 C([C@@H](C....
50 1XLD - XYL C5 H12 O5 C([C@@H](C....
51 2XIN - SOR C6 H14 O6 C([C@@H]([....
52 8XIM - XLS C5 H10 O5 C([C@H]([C....
53 1XIM - XYL C5 H12 O5 C([C@@H](C....
54 2XIM - XYL C5 H12 O5 C([C@@H](C....
55 1XIN - XYL C5 H12 O5 C([C@@H](C....
56 3XIM - SOR C6 H14 O6 C([C@@H]([....
57 5XIN - XLS C5 H10 O5 C([C@H]([C....
58 9XIM - XLS C5 H10 O5 C([C@H]([C....
59 6XIM - XLS C5 H10 O5 C([C@H]([C....
50% Homology Family (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1S5M - GLC C6 H12 O6 C([C@@H]1[....
2 3KBM - GLC C6 H12 O6 C([C@@H]1[....
3 4QEH - 32O C5 H10 O5 C([C@H]1[C....
4 3U3H - 03W C3 H8 O4 C([C@H](C(....
5 1XID - ASC C6 H8 O6 C([C@@H]([....
6 4DUO - XYL C5 H12 O5 C([C@@H](C....
7 4QE5 - RUU C5 H10 O5 C1[C@@H]([....
8 6RNF - GLC C6 H12 O6 C([C@@H]1[....
9 1XIH - SOR C6 H14 O6 C([C@@H]([....
10 4ZBC - GLC C6 H12 O6 C([C@@H]1[....
11 4QEE - Z6J C5 H10 O5 C([C@H]1[C....
12 1XIG - XYL C5 H12 O5 C([C@@H](C....
13 1XYC - 3MF C7 H14 O6 CO[C@@H]([....
14 5ZYE - GLC C6 H12 O6 C([C@@H]1[....
15 2XIS - XYL C5 H12 O5 C([C@@H](C....
16 1XYM - GLO C6 H12 O6 C([C@H]([C....
17 8XIA - XLS C5 H10 O5 C([C@H]([C....
18 1XIJ - THE C4 H7 O5 C([C@H]([C....
19 4XIS - XLS C5 H10 O5 C([C@H]([C....
20 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
21 1XIC - XLS C5 H10 O5 C([C@H]([C....
22 1XII - XUL C5 H10 O5 C([C@H]([C....
23 6QNI - GLC C6 H12 O6 C([C@@H]1[....
24 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
25 1XYB - GLO C6 H12 O6 C([C@H]([C....
26 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
27 6QNJ - GLC C6 H12 O6 C([C@@H]1[....
28 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
29 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
30 2GYI Ki < 100 nM HYA C4 H9 N O5 C([C@H]([C....
31 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
32 6RND - GLC C6 H12 O6 C([C@@H]1[....
33 1S5N - XYL C5 H12 O5 C([C@@H](C....
34 1XIF - GLC C6 H12 O6 C([C@@H]1[....
35 3XIS - XLS C5 H10 O5 C([C@H]([C....
36 6QND - GLO C6 H12 O6 C([C@H]([C....
37 1XIE - ASO C6 H12 O5 C1[C@@H]([....
38 3KBN - GLO C6 H12 O6 C([C@H]([C....
39 6QNC - GLC C6 H12 O6 C([C@@H]1[....
40 1DID - DIG C6 H13 N O4 C([C@H]1[C....
41 1XLC - XYL C5 H12 O5 C([C@@H](C....
42 1XLJ - XYL C5 H12 O5 C([C@@H](C....
43 1DIE - NOJ C6 H13 N O4 C1[C@@H]([....
44 1XLF - GCO C6 H12 O7 C([C@H]([C....
45 4XIA - SOR C6 H14 O6 C([C@@H]([....
46 1XLM - XYL C5 H12 O5 C([C@@H](C....
47 5XIA - XYL C5 H12 O5 C([C@@H](C....
48 1XLI Ki = 33 mM GLT C6 H12 O5 S C([C@@H]1[....
49 1XLG - XYL C5 H12 O5 C([C@@H](C....
50 1XLD - XYL C5 H12 O5 C([C@@H](C....
51 2XIN - SOR C6 H14 O6 C([C@@H]([....
52 8XIM - XLS C5 H10 O5 C([C@H]([C....
53 1XIM - XYL C5 H12 O5 C([C@@H](C....
54 2XIM - XYL C5 H12 O5 C([C@@H](C....
55 1XIN - XYL C5 H12 O5 C([C@@H](C....
56 3XIM - SOR C6 H14 O6 C([C@@H]([....
57 5XIN - XLS C5 H10 O5 C([C@H]([C....
58 9XIM - XLS C5 H10 O5 C([C@H]([C....
59 6XIM - XLS C5 H10 O5 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XLS; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 RB5 1 1
2 XLS 1 1
3 ROR 1 1
4 3BU 0.62963 1
5 GLO 0.62963 1
6 DNO 0.62963 1
7 AOS 0.62963 1
8 MTL 0.416667 0.909091
9 RB0 0.416667 0.869565
10 SOR 0.416667 0.909091
11 XYL 0.416667 0.869565
12 GXV 0.4 0.809524
13 3GR 0.4 0.809524
Ligand no: 2; Ligand: XYS; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 64K 1 1
2 RIP 1 1
3 HSY 1 1
4 XYS 1 1
5 LXC 1 1
6 0MK 1 1
7 XYP 1 1
8 SEJ 1 1
9 ARA 1 1
10 ARB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: XLS; Similar ligands found: 989
No: Ligand Similarity coefficient
1 XUL 1.0000
2 DHS 1.0000
3 S0H 1.0000
4 HYA 0.9972
5 5FX 0.9888
6 EHM 0.9576
7 THE 0.9547
8 XRG 0.9542
9 RBL 0.9468
10 RNS 0.9447
11 VAH 0.9445
12 KYD 0.9432
13 5M0 0.9427
14 KIV 0.9405
15 IXW 0.9393
16 SNE 0.9392
17 QDK 0.9391
18 MLT 0.9389
19 RNT 0.9388
20 TAR 0.9377
21 CFI 0.9373
22 GLY ALA 0.9371
23 5RG 0.9367
24 TLA 0.9367
25 MAK 0.9366
26 THR 0.9362
27 ARW 0.9361
28 VAL 0.9360
29 HIO 0.9358
30 2AS 0.9354
31 HPA 0.9352
32 ADE 0.9343
33 DGJ 0.9341
34 BE2 0.9340
35 9TZ 0.9338
36 FOC 0.9331
37 ILE 0.9330
38 DCL 0.9328
39 SAL 0.9324
40 XXR 0.9313
41 54G 0.9312
42 AHR 0.9310
43 XYP 0.9309
44 SKJ 0.9305
45 GLY GLY 0.9302
46 SRT 0.9297
47 SDD 0.9296
48 7HP 0.9294
49 3HB 0.9294
50 RIP 0.9294
51 FUD 0.9294
52 GTQ 0.9292
53 5MK 0.9292
54 NIZ 0.9290
55 V55 0.9286
56 LNO 0.9280
57 MEQ 0.9279
58 HL5 0.9279
59 FSG 0.9278
60 GAG 0.9277
61 1LN 0.9272
62 HDA 0.9269
63 HSE 0.9268
64 SOL 0.9264
65 KPL 0.9259
66 1CO 0.9258
67 MNN 0.9257
68 2XX 0.9257
69 OKG 0.9254
70 LRH 0.9253
71 M1E 0.9250
72 F05 0.9250
73 AKB 0.9250
74 AHB 0.9249
75 HSO 0.9248
76 TZE 0.9246
77 BHO 0.9244
78 OAA 0.9243
79 GLC 0.9242
80 BSX 0.9240
81 ISZ 0.9238
82 3NT 0.9235
83 4CS 0.9233
84 XYS 0.9233
85 4SD 0.9231
86 HX3 0.9230
87 RUU 0.9229
88 I2M 0.9226
89 MEV 0.9224
90 DFU 0.9223
91 BHH 0.9222
92 YTB 0.9222
93 I3A 0.9219
94 3XX 0.9217
95 MED 0.9216
96 AL0 0.9216
97 Q88 0.9215
98 HBA 0.9214
99 BGC 0.9214
100 LMR 0.9213
101 60P 0.9213
102 LEU 0.9209
103 1DJ 0.9209
104 HYP 0.9209
105 F9P 0.9208
106 51F 0.9207
107 MXN 0.9206
108 ES6 0.9203
109 GAB 0.9203
110 PAF 0.9200
111 CXF 0.9199
112 EXO 0.9199
113 1LQ 0.9198
114 PMB 0.9197
115 LTL 0.9193
116 2LP 0.9192
117 ARB 0.9192
118 RAM 0.9191
119 AG2 0.9188
120 98J 0.9185
121 FUB 0.9184
122 PAH 0.9183
123 ALO 0.9182
124 Z6J 0.9181
125 13P 0.9181
126 AKG 0.9180
127 NOJ 0.9180
128 ARA 0.9180
129 TFB 0.9178
130 PRO 0.9177
131 AFR 0.9176
132 3OC 0.9175
133 DMV 0.9173
134 GLL 0.9173
135 VKC 0.9172
136 5AC 0.9172
137 O7U 0.9171
138 ASP 0.9171
139 6CS 0.9171
140 DTT 0.9170
141 PEP 0.9169
142 53C 0.9169
143 ITN 0.9168
144 SOE 0.9166
145 IOM 0.9165
146 HIS 0.9164
147 SD4 0.9163
148 2RH 0.9162
149 TEO 0.9162
150 9X7 0.9161
151 GAL 0.9161
152 SIN 0.9160
153 4VP 0.9160
154 7HQ 0.9159
155 DAS 0.9159
156 TZL 0.9158
157 HCS 0.9156
158 ASN 0.9156
159 3BZ 0.9155
160 3OM 0.9154
161 PKU 0.9153
162 DTL 0.9153
163 G3P 0.9151
164 T9G 0.9151
165 FRU 0.9151
166 OVV 0.9151
167 FBM 0.9148
168 FEH 0.9148
169 GCO 0.9148
170 K6V 0.9148
171 NPO 0.9147
172 GLU 0.9146
173 FLA 0.9146
174 JKE 0.9146
175 PHB 0.9145
176 SYG 0.9145
177 FUF 0.9145
178 PCA 0.9145
179 BEZ 0.9143
180 SMV 0.9143
181 MRZ 0.9142
182 UY7 0.9140
183 LFC 0.9139
184 KOJ 0.9137
185 GIF 0.9137
186 DAB 0.9137
187 ZGL 0.9136
188 UGC 0.9134
189 BEN 0.9131
190 MRY 0.9130
191 6LW 0.9129
192 9TY 0.9126
193 FUL 0.9126
194 PG3 0.9126
195 8EZ 0.9125
196 COI 0.9124
197 2PC 0.9123
198 NCA 0.9123
199 NIO 0.9122
200 XIY 0.9121
201 64K 0.9121
202 XBT 0.9119
203 RAT 0.9119
204 FUC 0.9119
205 BAM 0.9119
206 FBJ 0.9118
207 1DV 0.9118
208 NMJ 0.9117
209 PEA 0.9117
210 9J3 0.9116
211 BZ3 0.9115
212 G3H 0.9112
213 ORN 0.9111
214 2CO 0.9111
215 IFM 0.9111
216 HZP 0.9110
217 3LR 0.9110
218 NVA 0.9110
219 6PC 0.9109
220 PZM 0.9109
221 LGC 0.9109
222 SMN 0.9108
223 PHU 0.9108
224 VNJ 0.9108
225 GG6 0.9107
226 DGN 0.9106
227 7B4 0.9106
228 RIB 0.9105
229 4HM 0.9105
230 DMJ 0.9105
231 3Z7 0.9104
232 OGA 0.9104
233 MAE 0.9104
234 BZX 0.9103
235 BHU 0.9101
236 PZA 0.9101
237 1P8 0.9100
238 FYU 0.9100
239 DE5 0.9100
240 DPF 0.9100
241 FAN 0.9099
242 IQ0 0.9098
243 PAB 0.9098
244 OK7 0.9096
245 EDG 0.9095
246 WBU 0.9094
247 ICF 0.9094
248 34V 0.9094
249 CYX 0.9093
250 3U4 0.9093
251 PBC 0.9093
252 URF 0.9093
253 G3F 0.9093
254 HTX 0.9092
255 1H1 0.9092
256 DS0 0.9088
257 MZW 0.9088
258 CRN 0.9087
259 IF7 0.9087
260 DFB 0.9087
261 Z82 0.9087
262 PGA 0.9086
263 0R0 0.9084
264 NBZ 0.9084
265 717 0.9084
266 4FA 0.9084
267 7A8 0.9083
268 HX2 0.9083
269 GLY CYS 0.9083
270 0MK 0.9083
271 9MG 0.9082
272 7BC 0.9082
273 8EW 0.9081
274 MUC 0.9081
275 SPV 0.9080
276 OVM 0.9080
277 173 0.9079
278 5HY 0.9077
279 192 0.9077
280 H95 0.9075
281 PAC 0.9075
282 SWA 0.9075
283 ES2 0.9074
284 1M2 0.9073
285 PZI 0.9073
286 I1E 0.9073
287 TAG 0.9073
288 CSS 0.9072
289 69O 0.9071
290 23W 0.9071
291 HSM 0.9070
292 QSC 0.9070
293 2HG 0.9070
294 SF9 0.9069
295 LER 0.9068
296 TMH 0.9068
297 KBG 0.9067
298 3SL 0.9067
299 261 0.9067
300 YRL 0.9067
301 IHG 0.9066
302 JZ4 0.9065
303 5WZ 0.9063
304 51R 0.9063
305 HY3 0.9062
306 PAE 0.9061
307 JZ3 0.9061
308 54D 0.9061
309 AC5 0.9061
310 GLN 0.9059
311 ACA 0.9058
312 40E 0.9057
313 F0J 0.9057
314 4PW 0.9055
315 5XC 0.9054
316 6M4 0.9054
317 9YL 0.9054
318 3OL 0.9053
319 SHV 0.9053
320 OW4 0.9053
321 AC6 0.9053
322 2AL 0.9053
323 8S0 0.9052
324 FPI 0.9051
325 LDU 0.9051
326 MET 0.9051
327 ZBT 0.9051
328 HDH 0.9050
329 7WG 0.9050
330 9RW 0.9050
331 FA1 0.9049
332 QY9 0.9049
333 3DY 0.9049
334 M6W 0.9047
335 3HA 0.9046
336 AUD 0.9045
337 4MA 0.9045
338 7N0 0.9044
339 K6H 0.9043
340 GOO 0.9043
341 LFR 0.9043
342 MAN 0.9041
343 CP 0.9038
344 OXQ 0.9038
345 LCN 0.9038
346 CIZ 0.9037
347 KMH 0.9036
348 FCN 0.9035
349 RSF 0.9035
350 SJ5 0.9035
351 SHO 0.9035
352 URQ 0.9035
353 5DI 0.9034
354 OTR 0.9034
355 BP9 0.9033
356 0OC 0.9033
357 1WD 0.9032
358 1PT 0.9031
359 1DQ 0.9030
360 PBZ 0.9030
361 3M0 0.9030
362 IFL 0.9026
363 MFB 0.9024
364 3F0 0.9024
365 K34 0.9024
366 8OZ 0.9024
367 GP9 0.9023
368 DXX 0.9022
369 BDR 0.9022
370 ABE 0.9022
371 AZF 0.9022
372 4XR 0.9022
373 6JN 0.9021
374 R1X 0.9021
375 LYL 0.9020
376 TP5 0.9019
377 DBH 0.9019
378 DGL 0.9019
379 14J 0.9017
380 CUW 0.9015
381 C2A 0.9015
382 0V5 0.9015
383 GLT 0.9015
384 1P3 0.9014
385 TYL 0.9014
386 OXZ 0.9013
387 DAV 0.9012
388 PEL 0.9011
389 MAH 0.9010
390 FUM 0.9009
391 CMS 0.9008
392 SKG 0.9008
393 2FT 0.9008
394 FPY 0.9007
395 3MB 0.9007
396 MLI 0.9007
397 EUG 0.9006
398 XM0 0.9005
399 L3Q 0.9005
400 TB6 0.9005
401 OMD 0.9004
402 RSO 0.9004
403 JBN 0.9003
404 1GP 0.9001
405 6NA 0.9001
406 PEQ 0.9001
407 KDF 0.9000
408 UNU 0.9000
409 GYE 0.8999
410 GOJ 0.8998
411 ZZT 0.8997
412 1DU 0.8996
413 J9T 0.8995
414 AMC 0.8994
415 3AB 0.8994
416 MD0 0.8993
417 RJY 0.8991
418 S2G 0.8991
419 PRS 0.8990
420 4WL 0.8990
421 AEF 0.8989
422 GRO 0.8988
423 OHG 0.8988
424 8GC 0.8988
425 3DM 0.8987
426 PSV 0.8987
427 ALA ALA 0.8986
428 3HL 0.8986
429 NTN 0.8986
430 DIG 0.8985
431 NMG 0.8985
432 HY1 0.8985
433 286 0.8984
434 URP 0.8984
435 GUA 0.8983
436 23B 0.8983
437 ACH 0.8982
438 ISD 0.8981
439 WTZ 0.8980
440 4MV 0.8979
441 4M4 0.8978
442 T2C 0.8978
443 SEJ 0.8977
444 VNL 0.8977
445 AGK 0.8976
446 HPY 0.8975
447 IDM 0.8975
448 2TQ 0.8974
449 YCP 0.8974
450 KTA 0.8974
451 DLY 0.8973
452 1Y6 0.8973
453 LDP 0.8973
454 49F 0.8971
455 4JT 0.8971
456 PPR 0.8970
457 32O 0.8970
458 3SK 0.8969
459 G2H 0.8969
460 HMU 0.8969
461 NLE 0.8968
462 WOO 0.8967
463 BNF 0.8967
464 MLA 0.8967
465 GJZ 0.8967
466 R8A 0.8967
467 GLA 0.8966
468 KJU 0.8965
469 ORO 0.8965
470 YHO 0.8965
471 1SA 0.8965
472 RMN 0.8965
473 PPV 0.8965
474 QFH 0.8963
475 DPR 0.8962
476 UYA 0.8962
477 SEP 0.8962
478 1AB 0.8961
479 AAE 0.8961
480 4VY 0.8961
481 4SV 0.8960
482 OHP 0.8959
483 M58 0.8958
484 SS2 0.8958
485 IVA 0.8958
486 FP1 0.8957
487 PSJ 0.8955
488 KMT 0.8955
489 2BG 0.8954
490 PGH 0.8953
491 GBD 0.8952
492 7MU 0.8952
493 2H5 0.8952
494 LYS 0.8951
495 NXA 0.8951
496 5XB 0.8950
497 MNM 0.8950
498 IP0 0.8950
499 3DO 0.8950
500 152 0.8949
501 SYN 0.8947
502 PYC 0.8946
503 LLQ 0.8946
504 FB2 0.8945
505 MPD 0.8944
506 MFU 0.8942
507 DOR 0.8941
508 VGL 0.8941
509 BDF 0.8940
510 449 0.8939
511 MR1 0.8939
512 3HP 0.8938
513 OVP 0.8938
514 OAF 0.8937
515 3V4 0.8935
516 APY 0.8935
517 069 0.8931
518 QSB 0.8929
519 B3M 0.8929
520 C5A 0.8929
521 TNE 0.8928
522 FB1 0.8928
523 FOA 0.8928
524 C2B 0.8927
525 PTO 0.8926
526 Q07 0.8926
527 7C3 0.8926
528 SS1 0.8924
529 2IT 0.8923
530 G2F 0.8923
531 RHU 0.8922
532 4JL 0.8922
533 MLM 0.8922
534 LPK 0.8922
535 R2B 0.8921
536 CEE 0.8921
537 PYJ 0.8921
538 R67 0.8920
539 DBX 0.8917
540 FQI 0.8917
541 SYM 0.8917
542 PG0 0.8917
543 IMR 0.8917
544 TZC 0.8916
545 DAL DAL 0.8915
546 FX1 0.8915
547 4ZA 0.8914
548 LKA 0.8914
549 OEM 0.8914
550 R8S 0.8914
551 5XA 0.8914
552 GGL 0.8912
553 271 0.8911
554 4RW 0.8910
555 AH8 0.8910
556 RBJ 0.8910
557 JZ5 0.8909
558 HBD 0.8908
559 273 0.8907
560 ODV 0.8905
561 NK 0.8903
562 6MP 0.8903
563 6NI 0.8902
564 FBV 0.8901
565 SPA 0.8901
566 I38 0.8898
567 SHA 0.8898
568 FBA 0.8897
569 WCE 0.8897
570 9SE 0.8896
571 H7Y 0.8894
572 HQJ 0.8894
573 TPA 0.8894
574 DYA 0.8894
575 PD2 0.8893
576 A09 0.8892
577 IHB 0.8892
578 H42 0.8891
579 H76 0.8890
580 1SP 0.8890
581 HHA 0.8889
582 AE3 0.8888
583 TH7 0.8888
584 PRY 0.8887
585 41K 0.8886
586 3QM 0.8884
587 XYH 0.8884
588 JYD 0.8883
589 IT2 0.8883
590 2KT 0.8883
591 JZ1 0.8881
592 IZC 0.8881
593 HBX 0.8881
594 9DA 0.8880
595 CWJ 0.8880
596 KDG 0.8880
597 C5J 0.8878
598 SF6 0.8877
599 URA 0.8877
600 BAE 0.8877
601 PPY 0.8876
602 CS2 0.8876
603 JZ7 0.8876
604 SER 0.8875
605 9HX 0.8875
606 GZ3 0.8874
607 NOY 0.8874
608 SAT 0.8874
609 CYS 0.8873
610 TSU 0.8872
611 1MR 0.8871
612 6M9 0.8870
613 C21 0.8870
614 B24 0.8868
615 ZXD 0.8867
616 3R9 0.8867
617 2PG 0.8866
618 NBE 0.8866
619 X1S 0.8866
620 PBE 0.8865
621 B3U 0.8864
622 PIM 0.8864
623 SHF 0.8863
624 SVN 0.8862
625 10L 0.8860
626 ABN 0.8860
627 2DR 0.8860
628 2EH 0.8859
629 ASO 0.8859
630 S2P 0.8858
631 SR1 0.8856
632 BNS 0.8856
633 FPK 0.8855
634 ABV 0.8854
635 HMH 0.8853
636 SVJ 0.8851
637 9ON 0.8850
638 ET2 0.8850
639 EOL 0.8850
640 DTU 0.8848
641 POP 0.8848
642 APG 0.8847
643 3HR 0.8845
644 94B 0.8845
645 ASC 0.8844
646 03W 0.8844
647 JBE 0.8843
648 S8V 0.8841
649 DHR 0.8840
650 CRS 0.8839
651 SWD 0.8839
652 9X6 0.8837
653 HIC 0.8834
654 264 0.8834
655 R2P 0.8833
656 OSE 0.8832
657 CNL 0.8831
658 7VD 0.8831
659 OPE 0.8830
660 23J 0.8830
661 OCT 0.8829
662 VGD 0.8828
663 ODO 0.8827
664 EV0 0.8827
665 SSN 0.8827
666 HDL 0.8826
667 GLY PRO 0.8826
668 AX7 0.8824
669 JZ9 0.8824
670 8ZE 0.8824
671 3PG 0.8822
672 P92 0.8821
673 1XX 0.8820
674 4HP 0.8819
675 RM1 0.8818
676 AS3 0.8818
677 SAN 0.8818
678 MSN 0.8817
679 G4D 0.8816
680 2FY 0.8816
681 149 0.8815
682 NYL 0.8815
683 26D 0.8815
684 IPM 0.8814
685 TTL 0.8813
686 7UC 0.8813
687 NF3 0.8813
688 ONL 0.8810
689 3HG 0.8809
690 BCU 0.8808
691 PRZ 0.8808
692 3PP 0.8804
693 H3M 0.8804
694 K7M 0.8804
695 0TR 0.8802
696 FIX 0.8802
697 6FZ 0.8800
698 TIH 0.8798
699 9EW 0.8798
700 DMG 0.8798
701 2PN 0.8797
702 OW7 0.8797
703 0RW 0.8797
704 DIE 0.8796
705 P2D 0.8795
706 5HN 0.8795
707 4NG 0.8794
708 PDC 0.8793
709 DSN 0.8792
710 FBB 0.8791
711 XCZ 0.8791
712 MPJ 0.8791
713 FAC 0.8790
714 SGL 0.8789
715 R9S 0.8789
716 KP6 0.8788
717 3PY 0.8787
718 HCI 0.8786
719 PCT 0.8785
720 HHH 0.8785
721 948 0.8784
722 IDH 0.8783
723 E5X 0.8783
724 IT9 0.8781
725 3YP 0.8781
726 K2T 0.8781
727 94W 0.8780
728 GLF 0.8780
729 5VM 0.8780
730 MLE 0.8780
731 TPO 0.8780
732 5OB 0.8780
733 HQ9 0.8778
734 JA8 0.8778
735 36R 0.8778
736 IPU 0.8777
737 JFJ 0.8777
738 285 0.8776
739 X1R 0.8775
740 HC4 0.8775
741 HHI 0.8774
742 7WV 0.8774
743 LEA 0.8773
744 ABU 0.8773
745 265 0.8772
746 H62 0.8771
747 B0D 0.8768
748 268 0.8767
749 KG7 0.8766
750 FW5 0.8766
751 DYT 0.8766
752 56D 0.8766
753 280 0.8765
754 NLP 0.8765
755 MSE 0.8765
756 NDH 0.8764
757 269 0.8763
758 REL 0.8761
759 B40 0.8761
760 4JU 0.8761
761 F31 0.8761
762 9CL 0.8760
763 24B 0.8760
764 PAV 0.8759
765 DBB 0.8758
766 1P7 0.8757
767 AI2 0.8755
768 FA3 0.8754
769 RUJ 0.8754
770 GBN 0.8753
771 DQA 0.8753
772 O8Y 0.8752
773 NCT 0.8752
774 TIU 0.8751
775 EYK 0.8751
776 ICN 0.8748
777 2F6 0.8748
778 270 0.8747
779 J9N 0.8747
780 2A9 0.8745
781 1DW 0.8744
782 SVD 0.8744
783 2MH 0.8742
784 MZT 0.8742
785 14O 0.8740
786 ECE 0.8740
787 1AC 0.8739
788 FK8 0.8738
789 PHE 0.8738
790 2MI 0.8738
791 5H1 0.8737
792 NFQ 0.8735
793 BUB 0.8735
794 AEG 0.8732
795 AC0 0.8732
796 282 0.8732
797 4ZC 0.8732
798 PMF 0.8732
799 LLH 0.8731
800 F60 0.8731
801 YPN 0.8730
802 TDR 0.8730
803 CWM 0.8729
804 11S 0.8729
805 I4B 0.8728
806 1SH 0.8728
807 HF2 0.8728
808 YIO 0.8726
809 263 0.8725
810 A29 0.8725
811 EDR 0.8721
812 SME 0.8721
813 12M 0.8720
814 GAF 0.8719
815 QIC 0.8718
816 QMP 0.8717
817 258 0.8715
818 2YU 0.8714
819 0JD 0.8713
820 6AI 0.8711
821 ICB 0.8711
822 R9M 0.8711
823 5B1 0.8710
824 5MB 0.8709
825 ADZ 0.8709
826 ES0 0.8709
827 N4B 0.8707
828 MCT 0.8707
829 3R6 0.8706
830 P22 0.8705
831 LY0 0.8705
832 45L 0.8705
833 BRT 0.8705
834 MZG 0.8705
835 4BZ 0.8704
836 N6C 0.8704
837 PRA 0.8704
838 CLW 0.8703
839 GZL 0.8702
840 L5V 0.8702
841 SC2 0.8701
842 AMH 0.8700
843 F9Y 0.8698
844 278 0.8697
845 GTK 0.8697
846 2D8 0.8697
847 A20 0.8696
848 QUS 0.8695
849 TH0 0.8691
850 FK1 0.8691
851 DUC 0.8691
852 15N 0.8690
853 HLR 0.8690
854 FOM 0.8690
855 284 0.8688
856 ES9 0.8685
857 FBW 0.8685
858 92K 0.8684
859 CHT 0.8683
860 IWT 0.8683
861 5MI 0.8682
862 NSD 0.8680
863 MWM 0.8680
864 PO6 0.8678
865 JAB 0.8678
866 CCB 0.8677
867 GVM 0.8676
868 4ZE 0.8676
869 4HO 0.8674
870 XBZ 0.8673
871 SYV 0.8672
872 5JC 0.8671
873 CXP 0.8668
874 H4N 0.8666
875 SMB 0.8665
876 A1U 0.8664
877 PLU 0.8663
878 826 0.8662
879 HT4 0.8662
880 NSP 0.8659
881 IPB 0.8659
882 ICC 0.8658
883 DHI 0.8658
884 M3H 0.8657
885 4JM 0.8654
886 XYD 0.8654
887 HPV 0.8653
888 PIS 0.8653
889 2K4 0.8652
890 HFA 0.8651
891 EKZ 0.8650
892 FE DB1 0.8649
893 2BX 0.8649
894 XQ0 0.8649
895 COU 0.8648
896 2MP 0.8647
897 SW7 0.8646
898 ICP 0.8643
899 PYD 0.8643
900 4FS 0.8641
901 Q9Z 0.8640
902 HPS 0.8640
903 3AL 0.8640
904 43M 0.8639
905 2AC 0.8639
906 DEN 0.8639
907 SX1 0.8638
908 95Z 0.8638
909 FLC 0.8638
910 CIT 0.8637
911 TM7 0.8637
912 DEE 0.8635
913 174 0.8634
914 L99 0.8634
915 HA5 0.8634
916 SYC 0.8632
917 34A 0.8632
918 03V 0.8632
919 5UC 0.8632
920 A3M 0.8630
921 WOT 0.8630
922 SSB 0.8629
923 DE2 0.8629
924 PBN 0.8625
925 RD4 0.8624
926 BE7 0.8624
927 8X3 0.8624
928 QUZ 0.8623
929 PYF 0.8623
930 PBA 0.8622
931 AEH 0.8622
932 P4B 0.8620
933 HBU 0.8619
934 OCH 0.8619
935 AHN 0.8619
936 GVG 0.8618
937 4JJ 0.8616
938 1MC 0.8614
939 P72 0.8613
940 5MH 0.8612
941 PIY 0.8612
942 LZM 0.8608
943 HIU 0.8605
944 2AQ 0.8605
945 8NY 0.8605
946 ES5 0.8604
947 DGY 0.8604
948 CLT 0.8604
949 3SY 0.8602
950 KUF 0.8601
951 JZ2 0.8600
952 BZF 0.8600
953 9R5 0.8597
954 40F 0.8597
955 42A 0.8595
956 KT7 0.8594
957 J9Q 0.8593
958 5WV 0.8593
959 BVG 0.8590
960 AFS 0.8588
961 ICT 0.8587
962 IND 0.8586
963 HPP 0.8582
964 BZI 0.8581
965 MPI 0.8580
966 0CT 0.8580
967 LZ1 0.8580
968 M2H 0.8579
969 AHC 0.8579
970 2HU 0.8575
971 0R1 0.8570
972 HPT 0.8568
973 97T 0.8564
974 DQY 0.8562
975 GVH 0.8560
976 M44 0.8558
977 RCO 0.8554
978 P58 0.8549
979 JND 0.8547
980 4PN 0.8546
981 CCD 0.8546
982 4CL 0.8546
983 ALA PRO 0.8544
984 2EZ 0.8543
985 DVQ 0.8541
986 BVC 0.8541
987 HJP 0.8533
988 QOS 0.8532
989 HVQ 0.8528
Ligand no: 2; Ligand: XYS; Similar ligands found: 1058
No: Ligand Similarity coefficient
1 PYG 1.0354
2 URA 0.9953
3 CRS 0.9911
4 CAQ 0.9888
5 26D 0.9887
6 3FA 0.9870
7 2C9 0.9850
8 MBD 0.9850
9 2MY 0.9840
10 FFP 0.9840
11 FLM 0.9830
12 2CM 0.9820
13 3MC 0.9810
14 HGQ 0.9803
15 GMN 0.9800
16 3MH 0.9790
17 DUB 0.9790
18 6UA 0.9783
19 6MH 0.9780
20 WBU 0.9772
21 3CE 0.9770
22 RAM 0.9763
23 JZ3 0.9759
24 URF 0.9754
25 0TR 0.9741
26 BEW 0.9736
27 XBZ 0.9733
28 YTB 0.9728
29 TDR 0.9728
30 FUC 0.9726
31 ICP 0.9725
32 PYD 0.9725
33 FUL 0.9723
34 MWM 0.9722
35 2MP 0.9716
36 4ZE 0.9716
37 1MC 0.9715
38 MCT 0.9715
39 2AC 0.9715
40 34A 0.9713
41 A1U 0.9710
42 QOS 0.9710
43 275 0.9710
44 7CZ 0.9703
45 IFM 0.9700
46 XYD 0.9698
47 23A 0.9697
48 DFU 0.9692
49 NK 0.9691
50 4HO 0.9689
51 SWD 0.9683
52 NOJ 0.9678
53 ADE 0.9677
54 ASO 0.9672
55 G2F 0.9672
56 BTE 0.9669
57 TM7 0.9662
58 94N 0.9660
59 43M 0.9658
60 HT4 0.9658
61 TH0 0.9656
62 2YU 0.9656
63 AHR 0.9654
64 GLC 0.9653
65 5UC 0.9648
66 XXR 0.9646
67 IDH 0.9646
68 JZ2 0.9645
69 FUB 0.9645
70 4JJ 0.9643
71 HPA 0.9641
72 MZG 0.9640
73 4CL 0.9638
74 FYU 0.9637
75 5MH 0.9636
76 3RK 0.9633
77 IFL 0.9630
78 NOY 0.9628
79 LCN 0.9625
80 5JC 0.9622
81 9DA 0.9613
82 4JO 0.9612
83 RNS 0.9610
84 TM4 0.9606
85 FCA 0.9605
86 IPH 0.9603
87 BGC 0.9602
88 RM4 0.9600
89 TMT 0.9600
90 BR9 0.9597
91 1XX 0.9595
92 6MP 0.9589
93 MWJ 0.9589
94 CEJ 0.9585
95 R8A 0.9583
96 27Y 0.9582
97 F81 0.9582
98 7WA 0.9581
99 FCB 0.9580
100 BP1 0.9579
101 9HX 0.9578
102 M1A 0.9576
103 82I 0.9572
104 7HP 0.9568
105 5Q0 0.9562
106 HFB 0.9560
107 MB3 0.9560
108 GOO 0.9558
109 EQT 0.9555
110 2XX 0.9554
111 10L 0.9553
112 G6D 0.9547
113 DFB 0.9543
114 PM6 0.9543
115 ADK 0.9543
116 TLD 0.9542
117 L89 0.9541
118 AZF 0.9540
119 TMZ 0.9540
120 5SG 0.9540
121 OXE 0.9539
122 NPY 0.9538
123 FP2 0.9536
124 ES4 0.9533
125 GRE 0.9533
126 HQY 0.9532
127 67N 0.9531
128 3DM 0.9526
129 FUF 0.9523
130 2AF 0.9523
131 QUZ 0.9521
132 39A 0.9518
133 OXZ 0.9517
134 Y8I 0.9515
135 1AN 0.9513
136 93Q 0.9513
137 7W4 0.9513
138 JFD 0.9512
139 76X 0.9511
140 JZ0 0.9511
141 ABE 0.9510
142 EXO 0.9509
143 92Z 0.9509
144 INS 0.9508
145 3WA 0.9508
146 0R0 0.9507
147 MNM 0.9506
148 O72 0.9505
149 1NP 0.9505
150 8LG 0.9503
151 2CH 0.9502
152 6F0 0.9502
153 0CT 0.9498
154 ADZ 0.9498
155 8H8 0.9497
156 KYD 0.9496
157 IUR 0.9495
158 4YS 0.9492
159 1LQ 0.9491
160 ISN 0.9490
161 F05 0.9489
162 3MA 0.9488
163 IND 0.9488
164 ES1 0.9488
165 23W 0.9488
166 P3K 0.9486
167 HTS 0.9485
168 GVH 0.9485
169 BCF 0.9484
170 A2Q 0.9482
171 40O 0.9480
172 284 0.9480
173 DMJ 0.9478
174 DEN 0.9477
175 1SQ 0.9477
176 KKN 0.9476
177 BZF 0.9474
178 25W 0.9472
179 JPZ 0.9471
180 4JP 0.9470
181 IDM 0.9469
182 1LM 0.9468
183 BZI 0.9467
184 BZX 0.9465
185 6HQ 0.9465
186 3XX 0.9464
187 5WV 0.9463
188 0R1 0.9462
189 5IQ 0.9462
190 YAN 0.9461
191 MFB 0.9460
192 260 0.9460
193 GLF 0.9459
194 938 0.9459
195 HMH 0.9458
196 OXQ 0.9456
197 JBQ 0.9456
198 Z6J 0.9454
199 ES7 0.9453
200 RCO 0.9450
201 4XX 0.9450
202 SAL 0.9449
203 F5B 0.9448
204 N5J 0.9448
205 32O 0.9446
206 9EW 0.9444
207 6AI 0.9444
208 286 0.9444
209 JBH 0.9443
210 MPI 0.9441
211 BBF 0.9441
212 JIF 0.9440
213 GUN 0.9440
214 PXL 0.9439
215 FPN 0.9439
216 MAN 0.9435
217 YHO 0.9435
218 TLA 0.9435
219 4PW 0.9433
220 3U4 0.9433
221 KSW 0.9433
222 7B4 0.9431
223 3ZQ 0.9430
224 LG3 0.9430
225 RIB 0.9429
226 KJY 0.9429
227 R2B 0.9426
228 R1X 0.9426
229 LZ1 0.9424
230 PLQ 0.9424
231 KPL 0.9424
232 1WG 0.9421
233 24W 0.9421
234 7MH 0.9420
235 HH8 0.9419
236 3M0 0.9418
237 CYH 0.9418
238 V1L 0.9417
239 948 0.9416
240 IMR 0.9414
241 94B 0.9413
242 XAN 0.9413
243 UEG 0.9412
244 GBD 0.9412
245 CYT 0.9410
246 FPY 0.9410
247 JZ9 0.9405
248 4XH 0.9404
249 2ZV 0.9403
250 SVN 0.9401
251 T6C 0.9401
252 L3Q 0.9400
253 3CH 0.9400
254 8GF 0.9400
255 3F0 0.9399
256 MMZ 0.9399
257 RP7 0.9398
258 HQE 0.9396
259 ZZT 0.9394
260 PA1 0.9392
261 BVF 0.9390
262 LG5 0.9390
263 9DG 0.9389
264 DGJ 0.9388
265 6X8 0.9387
266 DUC 0.9387
267 BDR 0.9386
268 LGC 0.9386
269 F3B 0.9384
270 6LW 0.9383
271 35C 0.9383
272 24B 0.9380
273 PCR 0.9380
274 6M9 0.9378
275 NEQ 0.9377
276 RSF 0.9375
277 IBF 0.9374
278 1PT 0.9374
279 MAK 0.9373
280 14O 0.9373
281 PAF 0.9372
282 HMU 0.9371
283 G3F 0.9368
284 1WD 0.9368
285 B53 0.9363
286 DA1 0.9363
287 SOE 0.9362
288 BE2 0.9361
289 5H1 0.9360
290 4CH 0.9359
291 LG4 0.9358
292 GIO 0.9357
293 GCS 0.9357
294 60P 0.9356
295 HPY 0.9356
296 GAL 0.9355
297 PXM 0.9353
298 G5V 0.9353
299 5MB 0.9353
300 HBX 0.9353
301 JKE 0.9352
302 KBG 0.9351
303 PXY 0.9350
304 4SV 0.9349
305 F60 0.9348
306 ABN 0.9348
307 NSP 0.9346
308 3HA 0.9346
309 DBH 0.9346
310 AGK 0.9344
311 AFR 0.9344
312 0RW 0.9342
313 2CK 0.9342
314 CIG 0.9340
315 B3R 0.9340
316 IF7 0.9339
317 DQN 0.9339
318 4DX 0.9338
319 JAE 0.9337
320 ICC 0.9336
321 25R 0.9332
322 12Q 0.9331
323 JBE 0.9329
324 5MI 0.9327
325 BMA 0.9326
326 1DW 0.9326
327 1AB 0.9324
328 HLR 0.9324
329 MZW 0.9323
330 TH7 0.9321
331 MSN 0.9320
332 PAV 0.9320
333 GAG 0.9320
334 SHG 0.9319
335 8S0 0.9317
336 CGB 0.9316
337 ES6 0.9315
338 2K4 0.9315
339 I1N 0.9314
340 HQT 0.9312
341 6M1 0.9312
342 GIF 0.9310
343 JZ1 0.9310
344 4H2 0.9310
345 OAA 0.9309
346 AZA 0.9308
347 IGA 0.9308
348 5AC 0.9306
349 PCI 0.9303
350 KJH 0.9303
351 ISE 0.9302
352 HAI 0.9300
353 7WV 0.9295
354 ES9 0.9295
355 M1E 0.9295
356 7W1 0.9294
357 URQ 0.9291
358 MLA 0.9291
359 HEW 0.9290
360 M3T 0.9290
361 P92 0.9289
362 ECE 0.9288
363 GLA 0.9288
364 5QX 0.9286
365 1XN 0.9285
366 A2F 0.9285
367 ARW 0.9284
368 EDG 0.9284
369 J1Z 0.9283
370 PTO 0.9282
371 CFP 0.9281
372 3Z7 0.9280
373 BR8 0.9280
374 WDL 0.9280
375 AX2 0.9280
376 CXL 0.9279
377 11S 0.9278
378 270 0.9274
379 AX7 0.9274
380 6KX 0.9271
381 FE DB1 0.9271
382 6AP 0.9271
383 YH7 0.9271
384 13X 0.9270
385 HY3 0.9269
386 MLI 0.9269
387 BDF 0.9266
388 DMV 0.9264
389 XQ0 0.9264
390 290 0.9264
391 34V 0.9260
392 H76 0.9260
393 3AY 0.9260
394 FK1 0.9257
395 KOJ 0.9256
396 ABV 0.9255
397 4JU 0.9254
398 2MH 0.9254
399 PFB 0.9254
400 Q88 0.9253
401 6M4 0.9253
402 2IM 0.9253
403 VNJ 0.9252
404 TNE 0.9251
405 5ZE 0.9250
406 ES0 0.9250
407 2MI 0.9249
408 BML 0.9249
409 L60 0.9249
410 COU 0.9247
411 MLT 0.9247
412 5WX 0.9247
413 GTQ 0.9246
414 03V 0.9246
415 AZG 0.9245
416 2DR 0.9244
417 CWM 0.9243
418 5CL 0.9243
419 2KT 0.9243
420 5RG 0.9242
421 GXL 0.9241
422 B57 0.9238
423 5M0 0.9237
424 SWA 0.9235
425 6GU 0.9235
426 H3M 0.9234
427 XLS 0.9233
428 1XM 0.9232
429 TBP 0.9230
430 H4N 0.9228
431 GIV 0.9227
432 SYN 0.9225
433 4HS 0.9224
434 4AA 0.9221
435 141 0.9220
436 150 0.9219
437 HZQ 0.9219
438 JB5 0.9215
439 12M 0.9214
440 4ZC 0.9214
441 G4D 0.9213
442 O7U 0.9212
443 DX4 0.9211
444 I3A 0.9210
445 DAB 0.9209
446 4JN 0.9209
447 HX3 0.9208
448 54G 0.9206
449 HHA 0.9205
450 HH5 0.9204
451 MT0 0.9204
452 ALO 0.9203
453 9TY 0.9203
454 GAF 0.9203
455 XM0 0.9202
456 GYE 0.9201
457 HHQ 0.9200
458 HBA 0.9200
459 BEZ 0.9199
460 95Z 0.9196
461 HXX 0.9195
462 3ID 0.9195
463 2AQ 0.9193
464 MFU 0.9193
465 DIE 0.9191
466 TAR 0.9191
467 4FS 0.9189
468 FRU 0.9188
469 WOO 0.9187
470 3DY 0.9186
471 RUU 0.9185
472 45C 0.9185
473 DIG 0.9184
474 OCH 0.9184
475 0CU 0.9183
476 YIO 0.9182
477 3SK 0.9181
478 ES5 0.9181
479 2ZX 0.9180
480 DMD 0.9180
481 ERH 0.9180
482 N7P 0.9176
483 JBK 0.9176
484 BOA 0.9174
485 PYQ 0.9174
486 LRH 0.9172
487 XUL 0.9172
488 285 0.9172
489 3DO 0.9170
490 KIV 0.9169
491 7HQ 0.9168
492 NCA 0.9166
493 LDU 0.9165
494 495 0.9165
495 SJ5 0.9161
496 2CQ 0.9160
497 ASC 0.9159
498 ROR 0.9158
499 VAH 0.9158
500 5MK 0.9156
501 A7W 0.9156
502 5NU 0.9154
503 BDP 0.9153
504 4AX 0.9153
505 FPK 0.9152
506 PZA 0.9152
507 FH2 0.9149
508 8NY 0.9148
509 NBZ 0.9147
510 SVJ 0.9146
511 6CS 0.9145
512 R8V 0.9145
513 THR 0.9145
514 FDK 0.9144
515 QWN 0.9143
516 FA0 0.9142
517 SKA 0.9140
518 MBN 0.9140
519 2FG 0.9138
520 1P7 0.9137
521 FDB 0.9136
522 H42 0.9136
523 4XR 0.9133
524 DOB 0.9131
525 2D0 0.9131
526 GLT 0.9130
527 2H5 0.9129
528 BHA 0.9129
529 1LN 0.9127
530 BEN 0.9127
531 X6X 0.9127
532 4M0 0.9127
533 CIZ 0.9126
534 ZWZ 0.9120
535 BSX 0.9120
536 9PO 0.9120
537 IOL 0.9118
538 TC7 0.9117
539 7EX 0.9117
540 8EZ 0.9113
541 149 0.9113
542 ALL 0.9113
543 VAL 0.9111
544 4AP 0.9110
545 HVK 0.9110
546 AUD 0.9106
547 32X 0.9105
548 5CU 0.9104
549 ASP 0.9100
550 12B 0.9099
551 5DI 0.9097
552 BHO 0.9096
553 280 0.9096
554 282 0.9095
555 X09 0.9094
556 ILE 0.9093
557 SX1 0.9092
558 BCP 0.9091
559 YSO 0.9091
560 7VJ 0.9090
561 2AP 0.9090
562 3AP 0.9090
563 UNC 0.9090
564 HRZ 0.9090
565 KG7 0.9090
566 1GN 0.9088
567 DBJ 0.9087
568 47J 0.9086
569 G1O 0.9085
570 MEW 0.9085
571 MBG 0.9084
572 AZ8 0.9084
573 FX1 0.9082
574 4VP 0.9082
575 RB5 0.9081
576 1U6 0.9080
577 F4Z 0.9080
578 PE0 0.9080
579 LGA 0.9080
580 ZB1 0.9078
581 TTL 0.9077
582 36R 0.9076
583 1MR 0.9075
584 DTI 0.9070
585 Q24 0.9070
586 MRW 0.9070
587 8CL 0.9070
588 MZB 0.9069
589 LMR 0.9069
590 DAS 0.9069
591 SRT 0.9068
592 5B1 0.9068
593 5AN 0.9066
594 2EC 0.9065
595 EA1 0.9065
596 ZZ3 0.9065
597 HLZ 0.9064
598 NIO 0.9062
599 SYV 0.9058
600 BAM 0.9058
601 ASN 0.9056
602 B55 0.9056
603 DIN 0.9056
604 F0J 0.9055
605 AKB 0.9053
606 CRN 0.9051
607 FP1 0.9050
608 TCZ 0.9050
609 PBE 0.9049
610 CTS 0.9049
611 QXW 0.9048
612 329 0.9046
613 M58 0.9046
614 9TZ 0.9046
615 B0D 0.9044
616 DTL 0.9044
617 TEP 0.9043
618 C2A 0.9043
619 PHB 0.9041
620 CLW 0.9041
621 HYN 0.9040
622 CTL 0.9038
623 KIB 0.9038
624 FLA 0.9036
625 41K 0.9035
626 HIO 0.9035
627 93B 0.9035
628 4HM 0.9033
629 M5K 0.9032
630 5VM 0.9032
631 CAM 0.9031
632 3MG 0.9030
633 GXE 0.9030
634 0P6 0.9030
635 M2H 0.9027
636 N8P 0.9026
637 8CM 0.9023
638 6PC 0.9023
639 2A9 0.9022
640 7D2 0.9021
641 Q6T 0.9021
642 ES2 0.9021
643 BTY 0.9020
644 24T 0.9020
645 PYF 0.9019
646 265 0.9019
647 DGY 0.9019
648 AQO 0.9018
649 VGL 0.9017
650 NK2 0.9017
651 ITN 0.9016
652 J9W 0.9016
653 CN0 0.9016
654 URP 0.9015
655 7VS 0.9015
656 LYL 0.9013
657 3IT 0.9013
658 QSC 0.9013
659 PYJ 0.9013
660 IP0 0.9012
661 RM1 0.9011
662 RBL 0.9009
663 2A7 0.9009
664 AKH 0.9009
665 HJP 0.9006
666 XQG 0.9006
667 IV2 0.9005
668 IJZ 0.9004
669 M0W 0.9004
670 VGD 0.9004
671 CNL 0.9003
672 NQ 0.9001
673 LER 0.9000
674 TTO 0.9000
675 WOT 0.8999
676 R8S 0.8999
677 1P8 0.8999
678 VK3 0.8999
679 TCM 0.8998
680 MMA 0.8997
681 NBE 0.8997
682 V55 0.8997
683 GAB 0.8996
684 BAE 0.8995
685 51F 0.8993
686 MRY 0.8993
687 URC 0.8993
688 9MG 0.8992
689 QFH 0.8990
690 ET2 0.8989
691 I2M 0.8987
692 42C 0.8985
693 MRZ 0.8984
694 TFB 0.8983
695 3NT 0.8983
696 MO8 0.8982
697 CWS 0.8982
698 JUG 0.8981
699 4NC 0.8981
700 UNU 0.8981
701 IPB 0.8980
702 37T 0.8980
703 2HQ 0.8980
704 M1Q 0.8979
705 0W8 0.8978
706 8TX 0.8977
707 C5J 0.8977
708 4HC 0.8976
709 NPO 0.8976
710 4M4 0.8972
711 EUG 0.8972
712 M0Q 0.8972
713 AC5 0.8971
714 GLU 0.8971
715 APY 0.8969
716 FBT 0.8965
717 PRO 0.8964
718 YCP 0.8963
719 75K 0.8962
720 3PY 0.8961
721 GLL 0.8960
722 ZBT 0.8960
723 WTZ 0.8959
724 2PC 0.8959
725 86J 0.8958
726 261 0.8957
727 RHU 0.8957
728 7NI 0.8957
729 KIA 0.8956
730 8IG 0.8956
731 NMJ 0.8956
732 RPQ 0.8955
733 FBA 0.8955
734 ZXD 0.8955
735 IQ0 0.8954
736 KP6 0.8952
737 FBB 0.8952
738 RXA 0.8951
739 192 0.8951
740 BAQ 0.8951
741 JZ4 0.8950
742 HHN 0.8950
743 FPI 0.8949
744 25T 0.8948
745 AJ2 0.8946
746 NTN 0.8945
747 FOT 0.8944
748 DRL 0.8944
749 DXX 0.8943
750 4JM 0.8942
751 PY7 0.8941
752 ISD 0.8940
753 3OC 0.8940
754 HSL 0.8940
755 LZM 0.8940
756 SKG 0.8938
757 B24 0.8938
758 LFR 0.8937
759 E7Z 0.8935
760 VNL 0.8935
761 42A 0.8934
762 H8N 0.8933
763 LKA 0.8931
764 CAH 0.8931
765 1AC 0.8930
766 DHB 0.8929
767 PRY 0.8926
768 D3M 0.8925
769 TMH 0.8925
770 4CS 0.8924
771 IT9 0.8924
772 DSN 0.8923
773 PSV 0.8922
774 SER 0.8922
775 CFF 0.8922
776 PIH 0.8920
777 NK1 0.8919
778 NCM 0.8918
779 DHQ 0.8916
780 5JQ 0.8916
781 SMV 0.8916
782 SF6 0.8915
783 PRS 0.8915
784 TZE 0.8911
785 2MN 0.8911
786 DZX 0.8910
787 E60 0.8910
788 SIN 0.8910
789 278 0.8910
790 SF9 0.8909
791 AMC 0.8908
792 23B 0.8906
793 M1H 0.8906
794 NXA 0.8905
795 JBN 0.8905
796 FOA 0.8903
797 C2U 0.8903
798 3HB 0.8903
799 2LP 0.8901
800 GCU 0.8899
801 SHA 0.8899
802 NTM 0.8899
803 AC0 0.8899
804 A3B 0.8899
805 XX2 0.8899
806 KUF 0.8899
807 3V4 0.8899
808 XBT 0.8897
809 DTU 0.8897
810 4RW 0.8896
811 NNO 0.8895
812 S76 0.8892
813 SR1 0.8892
814 ATQ 0.8892
815 UY7 0.8891
816 IOM 0.8890
817 MYJ 0.8889
818 INO 0.8889
819 5JL 0.8888
820 93K 0.8888
821 DPR 0.8887
822 15L 0.8887
823 3Z8 0.8887
824 GYP 0.8885
825 PYC 0.8885
826 717 0.8885
827 GCB 0.8884
828 53C 0.8884
829 P9P 0.8883
830 IT2 0.8881
831 PCA 0.8881
832 2HO 0.8881
833 NVI 0.8881
834 K2T 0.8880
835 T2C 0.8878
836 GG6 0.8878
837 DIU 0.8878
838 NDM 0.8877
839 DCD 0.8877
840 GTL 0.8875
841 PBC 0.8875
842 2GS 0.8874
843 3AB 0.8874
844 XAZ 0.8874
845 SFU 0.8874
846 KLW 0.8872
847 4JL 0.8872
848 9CL 0.8872
849 OHG 0.8872
850 1DH 0.8871
851 OVV 0.8870
852 LSA 0.8869
853 FBV 0.8867
854 680 0.8865
855 5HN 0.8864
856 HBD 0.8864
857 826 0.8864
858 DMG 0.8864
859 IPZ 0.8863
860 HSE 0.8861
861 3HM 0.8861
862 DMI 0.8860
863 PHT 0.8860
864 98J 0.8859
865 TZC 0.8859
866 MR1 0.8856
867 JLZ 0.8856
868 TFU 0.8855
869 4JT 0.8854
870 ADO 0.8854
871 TBS 0.8854
872 C21 0.8852
873 4A3 0.8852
874 54D 0.8852
875 FHB 0.8849
876 AAE 0.8848
877 VOH 0.8846
878 5RN 0.8846
879 MXN 0.8846
880 ZVO 0.8845
881 PBZ 0.8841
882 9TW 0.8840
883 GXY 0.8838
884 DBX 0.8838
885 BZ3 0.8838
886 OXC 0.8838
887 C2B 0.8837
888 HYP 0.8836
889 EYK 0.8835
890 K17 0.8835
891 PEP 0.8834
892 GT0 0.8834
893 1P3 0.8832
894 P72 0.8832
895 5OB 0.8830
896 2ZQ 0.8826
897 CAE 0.8826
898 1Y6 0.8825
899 PAB 0.8824
900 XIX 0.8822
901 AZ9 0.8822
902 CHB 0.8821
903 QX2 0.8819
904 4MA 0.8819
905 Z82 0.8814
906 HQD 0.8811
907 HGW 0.8810
908 8WT 0.8810
909 SVD 0.8808
910 BP9 0.8806
911 SS2 0.8802
912 WCE 0.8802
913 BVC 0.8800
914 EVA 0.8797
915 1DQ 0.8792
916 3BZ 0.8790
917 FB1 0.8790
918 QSB 0.8789
919 H62 0.8788
920 TP5 0.8788
921 G3E 0.8788
922 14J 0.8785
923 OEM 0.8784
924 40E 0.8778
925 3SL 0.8778
926 9X6 0.8778
927 MAE 0.8777
928 RXR 0.8777
929 HDA 0.8776
930 MA3 0.8776
931 CFI 0.8773
932 308 0.8773
933 UYA 0.8771
934 PAE 0.8771
935 FAN 0.8769
936 8GC 0.8768
937 AC6 0.8767
938 PQ0 0.8767
939 5GU 0.8764
940 2BN 0.8764
941 BRT 0.8763
942 FA1 0.8761
943 ISZ 0.8761
944 CYS 0.8760
945 SYG 0.8758
946 FSW 0.8757
947 ABA 0.8756
948 DEE 0.8755
949 MT5 0.8755
950 EKZ 0.8751
951 SE2 0.8751
952 PRF 0.8750
953 PBR 0.8750
954 3SY 0.8749
955 2TQ 0.8746
956 HIU 0.8746
957 GCV 0.8745
958 IHB 0.8745
959 7ZE 0.8741
960 DOR 0.8740
961 273 0.8739
962 HUI 0.8738
963 HZP 0.8738
964 NTZ 0.8732
965 9X7 0.8729
966 XIY 0.8728
967 DHK 0.8727
968 0FN 0.8726
969 MWP 0.8724
970 FHN 0.8722
971 ODV 0.8722
972 SS1 0.8721
973 CP 0.8721
974 JZ5 0.8719
975 LT2 0.8714
976 K5W 0.8712
977 3FH 0.8711
978 INE 0.8705
979 X05 0.8704
980 ORO 0.8702
981 GOX 0.8700
982 FAC 0.8697
983 SNE 0.8695
984 FQI 0.8695
985 CLZ 0.8692
986 PZI 0.8691
987 IUP 0.8691
988 AMG 0.8689
989 CHT 0.8689
990 GLN 0.8688
991 GTR 0.8688
992 6JN 0.8687
993 8EW 0.8683
994 NIZ 0.8683
995 B62 0.8681
996 D1X 0.8673
997 4JQ 0.8672
998 3PF 0.8670
999 ADA 0.8669
1000 173 0.8668
1001 ICO 0.8665
1002 ADM 0.8665
1003 BNT 0.8664
1004 SKM 0.8660
1005 06B 0.8659
1006 9RW 0.8648
1007 8WO 0.8647
1008 ENL 0.8645
1009 GIM 0.8643
1010 IPM 0.8635
1011 1DU 0.8634
1012 GDE 0.8632
1013 AEZ 0.8631
1014 LDP 0.8629
1015 RMN 0.8628
1016 COI 0.8627
1017 4NG 0.8624
1018 AKG 0.8622
1019 3PG 0.8622
1020 AI2 0.8620
1021 HCS 0.8617
1022 SXS 0.8614
1023 C2N 0.8609
1024 SOR 0.8609
1025 23J 0.8607
1026 1DJ 0.8606
1027 KBB 0.8605
1028 7N0 0.8602
1029 BNZ 0.8600
1030 DCY 0.8595
1031 DQU 0.8592
1032 2BG 0.8592
1033 GTZ 0.8590
1034 UGC 0.8590
1035 3MB 0.8589
1036 QSH 0.8588
1037 MVL 0.8586
1038 HLT 0.8581
1039 51R 0.8577
1040 4P0 0.8574
1041 CXF 0.8573
1042 MNN 0.8573
1043 IFP 0.8569
1044 TAY 0.8561
1045 HVQ 0.8561
1046 PHZ 0.8560
1047 P2D 0.8558
1048 4XV 0.8545
1049 0PY 0.8540
1050 AOS 0.8537
1051 ICN 0.8536
1052 AMT 0.8530
1053 KFH 0.8529
1054 PEL 0.8526
1055 3MT 0.8520
1056 HTP 0.8518
1057 QX4 0.8516
1058 MET 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GYI; Ligand: HYA; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 2gyi.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
1 1DE6 RNS 7.51295
2 1DE6 RNS 7.51295
3 1DE6 RNS 7.51295
4 1DE6 RNS 7.51295
5 2I56 RNS 10.8808
6 2I56 RNS 10.8808
Pocket No.: 2; Query (leader) PDB : 2GYI; Ligand: HYA; 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: 2gyi.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GYI; Ligand: HYA; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 2gyi.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
1 1DE6 RNS 7.51295
2 1DE6 RNS 7.51295
3 1DE6 RNS 7.51295
4 1DE6 RNS 7.51295
5 2I56 RNS 10.8808
6 2I56 RNS 10.8808
Pocket No.: 4; Query (leader) PDB : 2GYI; Ligand: HYA; 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: 2gyi.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
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