Receptor
PDB id Resolution Class Description Source Keywords
2j7b 1.87 Å EC: 3.2.1.21 BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH GLUCO-TETRAZOLE THERMOTOGA MARITIMA FAMILY 1 HYDROLASE INHIBITOR GLYCOSIDASE POLYSACCHARIDE DEGRADATION TRANSITION STATE MIMIC CARBOHYDRATE METABOLISM GLYCOSIDE HYDROLASE CELLULOSE DEGRADATION
Ref.: GLYCOSIDASE INHIBITION: AN ASSESSMENT OF THE BINDING OF 18 PUTATIVE TRANSITION-STATE MIMICS. J.AM.CHEM.SOC. V. 129 2345 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1447;
B:1447;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
CA B:1448;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
NTZ A:1446;
B:1446;
 Valid;
Valid;
 none;
none;
 Kd = 240 nM
202.168 C6 H10 N4 O4 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CET 1.97 Å EC: 3.2.1.21 BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH PHENETHYL-SUBSTITUTED GLUCOIMIDAZOLE THERMOTOGA MARITIMA GLYCOSIDE HYDROLASE INHIBITOR TRANSITION STATE MIMIC FAMILY 1 PHENETHYL-SUBSTITUTED GLUCOIMIDAZOLE HYDROLASE
Ref.: STRUCTURAL, KINETIC, AND THERMODYNAMIC ANALYSIS OF GLUCOIMIDAZOLE-DERIVED GLYCOSIDASE INHIBITORS. BIOCHEMISTRY V. 45 11879 2006
Members (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
2 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
3 2J7H Kd = 65 nM AZF C5 H12 N2 O3 C1[C@H]([C....
4 2J7D Kd = 74 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
5 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
6 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
7 2J79 Kd = 1.1 uM GTL C6 H12 N2 O5 C([C@@H]1[....
8 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
9 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
10 2VRJ Kd = 0.5 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
11 2J7F Kd = 445 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
12 2J77 Kd = 12.9 uM NOJ C6 H13 N O4 C1[C@@H]([....
13 5OSS Kd = 28.3 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
14 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
15 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
16 2J7G Kd = 100 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
17 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
18 2WC4 Kd = 5.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
19 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
20 1OIF Ka = 51450000 M^-1 IFM C6 H13 N O3 C1[C@@H]([....
21 2CES Kd = 56 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
22 2J7E Kd = 48 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
23 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
24 1OIM Ka = 210000 M^-1 NOJ C6 H13 N O4 C1[C@@H]([....
25 2CET Kd = 9.6 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
26 2J7B Kd = 240 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
70% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
2 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
3 2J7H Kd = 65 nM AZF C5 H12 N2 O3 C1[C@H]([C....
4 2J7D Kd = 74 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
5 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
6 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
7 2J79 Kd = 1.1 uM GTL C6 H12 N2 O5 C([C@@H]1[....
8 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
9 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
10 2VRJ Kd = 0.5 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
11 2J7F Kd = 445 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
12 2J77 Kd = 12.9 uM NOJ C6 H13 N O4 C1[C@@H]([....
13 5OSS Kd = 28.3 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
14 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
15 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
16 2J7G Kd = 100 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
17 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
18 2WC4 Kd = 5.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
19 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
20 1OIF Ka = 51450000 M^-1 IFM C6 H13 N O3 C1[C@@H]([....
21 2CES Kd = 56 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
22 2J7E Kd = 48 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
23 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
24 1OIM Ka = 210000 M^-1 NOJ C6 H13 N O4 C1[C@@H]([....
25 2CET Kd = 9.6 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
26 2J7B Kd = 240 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W9D ic50 = 0.58 mM SEH C10 H13 N O4 S2 CCS/C(=NOS....
2 1W9B ic50 = 0.99 mM CGT C15 H21 N O8 S2 c1ccc(cc1)....
3 1E6Q Ki = 0.7 mM NTZ C6 H10 N4 O4 C([C@@H]1[....
4 1E70 - G2F C6 H11 F O5 C([C@@H]1[....
5 1E71 - ASC C6 H8 O6 C([C@@H]([....
6 2WXD ic50 = 3.3 uM E18 C12 H18 N2 O4 S2 CN(C)CCS/C....
7 1E72 Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
8 1E6X - LGC C6 H10 O6 C([C@@H]1[....
9 1E73 - ASC C6 H8 O6 C([C@@H]([....
10 1E6S Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
11 1BGG - GCO C6 H12 O7 C([C@H]([C....
12 6R4K Ki = 51 uM JSK C17 H25 N7 O4 [H]/N=N/NC....
13 1E4I - NFG C12 H13 F N2 O9 c1cc(c(cc1....
14 4EK7 - BGC C6 H12 O6 C([C@@H]1[....
15 3U57 - DH8 C27 H34 N2 O8 C/C=C/1[C@....
16 3U5Y - SCG C17 H24 O10 COC(=O)C1=....
17 5OKK - BGP C6 H13 O9 P C([C@@H]1[....
18 5OKE - BG6 C6 H13 O9 P C([C@@H]1[....
19 5OKR - BG6 C6 H13 O9 P C([C@@H]1[....
20 5OKG - BG6 C6 H13 O9 P C([C@@H]1[....
21 5OKQ - BGP C6 H13 O9 P C([C@@H]1[....
22 5OKS - BG6 C6 H13 O9 P C([C@@H]1[....
23 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
24 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
25 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
26 3AI0 - PNW C12 H15 N O8 c1cc(ccc1[....
27 4IPN - SGC RTG n/a n/a
28 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
29 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
30 2J7H Kd = 65 nM AZF C5 H12 N2 O3 C1[C@H]([C....
31 2J7D Kd = 74 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
32 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
33 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
34 2J79 Kd = 1.1 uM GTL C6 H12 N2 O5 C([C@@H]1[....
35 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
36 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
37 2VRJ Kd = 0.5 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
38 2J7F Kd = 445 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
39 2J77 Kd = 12.9 uM NOJ C6 H13 N O4 C1[C@@H]([....
40 5OSS Kd = 28.3 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
41 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
42 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
43 2J7G Kd = 100 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
44 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
45 2WC4 Kd = 5.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
46 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
47 1OIF Ka = 51450000 M^-1 IFM C6 H13 N O3 C1[C@@H]([....
48 2CES Kd = 56 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
49 2J7E Kd = 48 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
50 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
51 1OIM Ka = 210000 M^-1 NOJ C6 H13 N O4 C1[C@@H]([....
52 2CET Kd = 9.6 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
53 2J7B Kd = 240 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
54 4JIE - BMA C6 H12 O6 C([C@@H]1[....
55 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
56 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
57 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
58 3AIS - HBK BGC n/a n/a
59 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
60 4PTX - BGC C6 H12 O6 C([C@@H]1[....
61 4PTV - SGC BGC n/a n/a
62 3GNP - SOG C14 H28 O5 S CCCCCCCCS[....
63 6RJM - GLC C6 H12 O6 C([C@@H]1[....
64 6RK2 - 6GR C13 H16 O8 c1ccc(c(c1....
65 6RJO - SA0 C13 H18 O7 c1ccc(c(c1....
66 5AYI - BGC C6 H12 O6 C([C@@H]1[....
67 1E56 - BGC HBO n/a n/a
68 1E55 Ki = 76 uM DHR C8 H7 N O2 c1cc(ccc1[....
69 1V08 Ki ~ 1 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
70 1E4N - HBO C9 H9 N O5 COc1ccc2c(....
71 1H49 - HBO BGC n/a n/a
72 5GNX - BGC C6 H12 O6 C([C@@H]1[....
73 5GNY - BGC C6 H12 O6 C([C@@H]1[....
74 5GNZ - BGC C6 H12 O6 C([C@@H]1[....
75 2E40 - LGC C6 H10 O6 C([C@@H]1[....
76 3F5K Ki = 0.024 mM BGC BGC BGC BGC BGC n/a n/a
77 7BZM - GIM C8 H13 N2 O4 c1c[n+]2c(....
78 4QLL Ka = 2400 M^-1 BGC BGC BGC BGC n/a n/a
79 4QLJ - BGC BGC BGC BGC n/a n/a
80 3F5J Ki = 0.052 mM BGC BGC BGC BGC n/a n/a
81 4QLK Ka = 1800 M^-1 BGC BGC BGC BGC n/a n/a
82 3F5L Ki = 0.191 mM BGC BGC n/a n/a
83 3PTQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
84 4PBG - BGP C6 H13 O9 P C([C@@H]1[....
85 3CMJ - SRT C4 H6 O6 [C@H]([C@H....
86 5YIF - 8VR C9 H14 O8 C[C@]1(OC[....
87 1V03 - BGC CCN IPH n/a n/a
88 2O9T - BGC C6 H12 O6 C([C@@H]1[....
89 2O9R Ki = 21 mM SGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NTZ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NTZ 1 1
2 GTZ 1 1
3 RPQ 0.456522 0.854545
Similar Ligands (3D)
Ligand no: 1; Ligand: NTZ; Similar ligands found: 741
No: Ligand Similarity coefficient
1 AEZ 1.0000
2 GIM 1.0000
3 HTP 1.0000
4 MVL 0.9856
5 TEP 0.9798
6 CFF 0.9694
7 DPZ 0.9649
8 15L 0.9645
9 GOX 0.9625
10 PHH 0.9625
11 12B 0.9624
12 HNQ 0.9621
13 H33 0.9591
14 8XQ 0.9587
15 2ZQ 0.9586
16 7ZE 0.9585
17 JUG 0.9582
18 NDM 0.9577
19 K17 0.9570
20 5WX 0.9570
21 HZQ 0.9562
22 B60 0.9561
23 209 0.9550
24 680 0.9548
25 G1O 0.9547
26 YSO 0.9543
27 DQN 0.9541
28 5WY 0.9530
29 GCW 0.9528
30 3WA 0.9521
31 NQ 0.9515
32 MAQ 0.9515
33 VK3 0.9499
34 UNC 0.9497
35 JBQ 0.9495
36 FBG 0.9492
37 BDP 0.9490
38 KIF 0.9479
39 IJZ 0.9478
40 UQ 0.9473
41 FOT 0.9473
42 HLZ 0.9467
43 X8D 0.9461
44 B57 0.9457
45 IBM 0.9456
46 FLV 0.9455
47 GLC 0.9452
48 9KT 0.9450
49 C2U 0.9448
50 226 0.9447
51 BGC 0.9444
52 7B3 0.9443
53 KIB 0.9442
54 37T 0.9439
55 6BL 0.9430
56 PYQ 0.9427
57 LGC 0.9427
58 BSP 0.9424
59 HJP 0.9423
60 ZVO 0.9419
61 18N 0.9407
62 EJZ 0.9406
63 ISE 0.9404
64 UEG 0.9402
65 Q6T 0.9400
66 JKZ 0.9399
67 7NI 0.9396
68 9MG 0.9393
69 495 0.9391
70 GCU 0.9389
71 PCI 0.9388
72 GCB 0.9387
73 LI6 0.9385
74 7VS 0.9385
75 K32 0.9385
76 KJY 0.9384
77 NID 0.9384
78 AKH 0.9384
79 MT0 0.9382
80 G3F 0.9380
81 HFB 0.9376
82 1X7 0.9373
83 8S0 0.9371
84 GT0 0.9371
85 GCS 0.9367
86 INS 0.9366
87 DNC 0.9363
88 42C 0.9361
89 BEA 0.9361
90 MIG 0.9360
91 TBS 0.9360
92 GOG 0.9359
93 CLZ 0.9352
94 PFB 0.9352
95 AMG 0.9346
96 MT5 0.9330
97 BCF 0.9327
98 TOF 0.9326
99 M0Q 0.9318
100 BNT 0.9318
101 3MA 0.9318
102 ADK 0.9318
103 GCV 0.9313
104 7VJ 0.9308
105 GRE 0.9306
106 06B 0.9306
107 5QX 0.9301
108 F3B 0.9299
109 HQT 0.9289
110 12Q 0.9288
111 K6X 0.9287
112 SHG 0.9285
113 3IT 0.9285
114 G5V 0.9284
115 QPR 0.9281
116 APZ 0.9281
117 AZ9 0.9281
118 RXA 0.9280
119 IBF 0.9280
120 3MG 0.9278
121 BBF 0.9277
122 GUN 0.9277
123 GLT 0.9275
124 2MN 0.9275
125 INE 0.9274
126 DIU 0.9274
127 6M1 0.9270
128 PHT 0.9268
129 LDR 0.9268
130 F5B 0.9268
131 MT8 0.9267
132 AZ8 0.9267
133 4ME 0.9267
134 AJ2 0.9265
135 67N 0.9265
136 9AP 0.9264
137 MUA 0.9263
138 PE0 0.9262
139 EA1 0.9262
140 KJH 0.9261
141 EVA 0.9259
142 FE DB1 0.9257
143 32X 0.9253
144 ZZ8 0.9253
145 Q24 0.9252
146 4XH 0.9251
147 7W1 0.9251
148 D07 0.9250
149 329 0.9248
150 J9W 0.9244
151 GAL 0.9243
152 M1A 0.9243
153 M1E 0.9242
154 GYP 0.9241
155 XAN 0.9241
156 K22 0.9240
157 M1H 0.9240
158 KT7 0.9240
159 MBG 0.9239
160 MMA 0.9237
161 4HC 0.9237
162 GLA 0.9237
163 PX7 0.9236
164 URC 0.9234
165 NTM 0.9233
166 39A 0.9232
167 PXL 0.9230
168 SYA 0.9228
169 CBF 0.9227
170 UAN 0.9226
171 HQD 0.9223
172 MEW 0.9223
173 582 0.9223
174 6F0 0.9223
175 4AN 0.9222
176 HH8 0.9220
177 M0W 0.9219
178 AJV 0.9219
179 XAZ 0.9216
180 M6N 0.9215
181 5RG 0.9212
182 KFH 0.9211
183 DBJ 0.9211
184 MA3 0.9209
185 5M0 0.9206
186 1LQ 0.9206
187 AQO 0.9206
188 0P6 0.9204
189 BPU 0.9201
190 8CM 0.9200
191 DNF 0.9198
192 M5K 0.9198
193 E7Z 0.9195
194 KBG 0.9194
195 MXX 0.9193
196 BK9 0.9191
197 GIO 0.9191
198 MAN 0.9188
199 LSA 0.9187
200 9DG 0.9183
201 3C1 0.9181
202 PXM 0.9179
203 2AK 0.9177
204 PEY 0.9176
205 GTQ 0.9175
206 25W 0.9173
207 V55 0.9171
208 MO8 0.9171
209 8VE 0.9171
210 B55 0.9170
211 Q88 0.9168
212 5MK 0.9167
213 54G 0.9165
214 4MU 0.9165
215 ES1 0.9165
216 1LM 0.9163
217 DHK 0.9163
218 BTY 0.9162
219 OA3 0.9162
220 4AA 0.9162
221 7WR 0.9161
222 TTY 0.9160
223 5IQ 0.9160
224 1NP 0.9160
225 O72 0.9159
226 HQY 0.9158
227 64C 0.9157
228 0N7 0.9155
229 KLW 0.9155
230 4Z4 0.9154
231 M1Q 0.9153
232 5SG 0.9153
233 5Q0 0.9153
234 CWS 0.9150
235 K8X 0.9150
236 GTL 0.9149
237 1SQ 0.9147
238 MHK 0.9147
239 4YS 0.9146
240 3F0 0.9145
241 2ZV 0.9144
242 4M4 0.9144
243 EUG 0.9144
244 DIN 0.9143
245 Z5P 0.9143
246 3M0 0.9142
247 FH2 0.9139
248 GDE 0.9138
249 8TX 0.9137
250 JBH 0.9136
251 JPZ 0.9136
252 N5J 0.9135
253 3HA 0.9135
254 QAT 0.9133
255 HH5 0.9132
256 5CL 0.9132
257 R8V 0.9132
258 5JQ 0.9130
259 FDK 0.9129
260 AIN 0.9125
261 A7W 0.9121
262 SX1 0.9120
263 Q7A 0.9120
264 2LY 0.9119
265 TTL 0.9119
266 G2F 0.9116
267 IV2 0.9115
268 F0J 0.9113
269 FDB 0.9112
270 AZA 0.9111
271 DRL 0.9111
272 I6G 0.9109
273 9TZ 0.9106
274 KUF 0.9106
275 9PY 0.9105
276 WOO 0.9105
277 5NE 0.9100
278 SKA 0.9100
279 DBH 0.9095
280 10L 0.9094
281 ES0 0.9091
282 2H5 0.9089
283 8IG 0.9088
284 ADA 0.9087
285 HXX 0.9086
286 1U6 0.9086
287 JTH 0.9086
288 FHN 0.9086
289 XQG 0.9084
290 BP1 0.9080
291 6CS 0.9078
292 GM7 0.9076
293 GAF 0.9076
294 TQU 0.9076
295 DHQ 0.9074
296 BMA 0.9074
297 7HQ 0.9072
298 PA1 0.9072
299 XQK 0.9071
300 7WA 0.9070
301 3GQ 0.9070
302 5RN 0.9069
303 GJS 0.9067
304 BTE 0.9067
305 TVP 0.9067
306 QSH 0.9062
307 G6D 0.9062
308 ZB1 0.9062
309 ADE 0.9061
310 948 0.9060
311 QAS 0.9060
312 FGZ 0.9059
313 CWM 0.9059
314 QX2 0.9059
315 8GK 0.9058
316 28N 0.9058
317 6MP 0.9057
318 QBK 0.9056
319 VNL 0.9055
320 1XN 0.9055
321 GZ8 0.9055
322 XHP 0.9050
323 HPA 0.9049
324 5VJ 0.9048
325 L7T 0.9048
326 3Z8 0.9046
327 H6B 0.9044
328 PM6 0.9044
329 EQT 0.9043
330 ICO 0.9042
331 1XM 0.9042
332 2D0 0.9041
333 1U1 0.9041
334 SOR 0.9041
335 XXR 0.9040
336 LZ2 0.9040
337 6AP 0.9039
338 JBK 0.9033
339 X05 0.9032
340 7FF 0.9031
341 4XV 0.9029
342 44W 0.9029
343 M3S 0.9029
344 I3A 0.9028
345 5RO 0.9026
346 3R6 0.9026
347 KGK 0.9026
348 I1N 0.9026
349 SRO 0.9026
350 PRF 0.9025
351 UFO 0.9024
352 24W 0.9024
353 A2F 0.9024
354 ES4 0.9023
355 290 0.9018
356 GLF 0.9017
357 5WU 0.9017
358 MVN 0.9017
359 141 0.9016
360 SXS 0.9015
361 7ME 0.9014
362 ALL 0.9012
363 C2Y 0.9011
364 3C2 0.9010
365 YQA 0.9010
366 ORO 0.9009
367 FBT 0.9008
368 ADZ 0.9007
369 7HP 0.9007
370 K37 0.9006
371 IGA 0.9006
372 94B 0.9005
373 9DA 0.9003
374 HLD 0.9003
375 MFU 0.9001
376 LKA 0.9001
377 MRW 0.9001
378 AZG 0.9001
379 CFP 0.9000
380 DX4 0.9000
381 N8Y 0.8999
382 9HX 0.8995
383 5JL 0.8995
384 0FO 0.8995
385 44V 0.8995
386 BOA 0.8994
387 OTW 0.8992
388 FXH 0.8989
389 JXN 0.8989
390 EXO 0.8988
391 4KL 0.8988
392 X6X 0.8988
393 HHA 0.8987
394 PDC 0.8986
395 NGO 0.8984
396 O2A 0.8983
397 B62 0.8983
398 DQU 0.8982
399 B53 0.8981
400 3RI 0.8980
401 QWW 0.8977
402 0CU 0.8977
403 3FH 0.8977
404 CTS 0.8976
405 3Z7 0.8975
406 5NS 0.8975
407 75K 0.8974
408 537 0.8973
409 SWD 0.8971
410 YH7 0.8970
411 2D3 0.8970
412 86J 0.8969
413 HKD 0.8968
414 D1X 0.8968
415 GLG 0.8967
416 39O 0.8967
417 AW5 0.8966
418 7B4 0.8966
419 UFV 0.8963
420 JU2 0.8962
421 4VS 0.8961
422 X09 0.8961
423 SWA 0.8960
424 ZWZ 0.8960
425 PBR 0.8959
426 TNL 0.8959
427 NOJ 0.8959
428 JR2 0.8957
429 TNF 0.8957
430 BE2 0.8956
431 0W8 0.8955
432 E7R 0.8954
433 92P 0.8954
434 NGT 0.8953
435 CN0 0.8950
436 1KP 0.8950
437 34D 0.8950
438 XM5 0.8950
439 KYD 0.8948
440 GV9 0.8948
441 149 0.8948
442 6GU 0.8947
443 2M5 0.8947
444 82I 0.8946
445 VOH 0.8945
446 3TJ 0.8942
447 ASO 0.8941
448 OXC 0.8938
449 5CU 0.8936
450 KKN 0.8935
451 DNA 0.8935
452 GTR 0.8933
453 293 0.8933
454 2EC 0.8932
455 EYK 0.8930
456 FSW 0.8928
457 8W9 0.8926
458 0GZ 0.8920
459 PQ0 0.8920
460 1AL 0.8919
461 JXZ 0.8918
462 0FK 0.8917
463 67X 0.8916
464 7D2 0.8914
465 4XS 0.8913
466 BCP 0.8910
467 60Q 0.8907
468 3RK 0.8907
469 JXW 0.8904
470 2FQ 0.8904
471 AFR 0.8903
472 DOB 0.8902
473 F12 0.8901
474 CKX 0.8901
475 D3M 0.8901
476 8HC 0.8899
477 ISN 0.8899
478 M5N 0.8898
479 G12 0.8897
480 K2P 0.8895
481 ZYR 0.8894
482 RAM 0.8892
483 6KX 0.8891
484 SAL 0.8891
485 GXY 0.8891
486 FDR 0.8890
487 6ME 0.8887
488 3U4 0.8886
489 3MB 0.8886
490 GIV 0.8886
491 ES7 0.8882
492 6VD 0.8877
493 BRV 0.8877
494 5OF 0.8875
495 LCN 0.8875
496 H5B 0.8874
497 TWO 0.8874
498 KIA 0.8874
499 7MH 0.8873
500 JKE 0.8871
501 XYP 0.8870
502 5WV 0.8869
503 DBX 0.8868
504 M3Q 0.8867
505 QX4 0.8866
506 IFL 0.8866
507 GSY 0.8864
508 3DO 0.8861
509 23A 0.8860
510 K3Q 0.8859
511 NDH 0.8859
512 2FG 0.8858
513 F1A 0.8857
514 0FN 0.8857
515 FA0 0.8856
516 7W4 0.8856
517 DMJ 0.8851
518 Q77 0.8850
519 5NU 0.8847
520 KDO 0.8846
521 ES6 0.8846
522 SJ5 0.8846
523 JYB 0.8845
524 1P7 0.8843
525 FUL 0.8842
526 7I2 0.8841
527 NVU 0.8840
528 R6T 0.8840
529 6XI 0.8838
530 TIY 0.8833
531 JFD 0.8830
532 2J9 0.8829
533 1GN 0.8827
534 DMD 0.8825
535 7M6 0.8824
536 GYE 0.8823
537 1WD 0.8821
538 4M0 0.8818
539 0XT 0.8817
540 S3B 0.8817
541 SYV 0.8816
542 5PX 0.8815
543 NCD 0.8813
544 CIP 0.8811
545 DIE 0.8810
546 BHA 0.8810
547 64E 0.8809
548 2KA 0.8808
549 YIO 0.8805
550 FYU 0.8805
551 KBB 0.8804
552 260 0.8803
553 5OB 0.8803
554 FLC 0.8803
555 8WT 0.8803
556 FUC 0.8801
557 COU 0.8801
558 3ID 0.8800
559 42A 0.8799
560 2HQ 0.8799
561 ASC 0.8798
562 3DM 0.8798
563 DOR 0.8796
564 FUF 0.8793
565 G3E 0.8792
566 1WG 0.8792
567 CTL 0.8791
568 20J 0.8790
569 3J8 0.8790
570 2AQ 0.8790
571 57O 0.8789
572 OCH 0.8787
573 LZM 0.8787
574 T6C 0.8787
575 K5W 0.8785
576 NOY 0.8784
577 NLA 0.8784
578 SOE 0.8780
579 7WV 0.8779
580 FCA 0.8778
581 MFB 0.8775
582 B0D 0.8774
583 4SV 0.8772
584 03V 0.8771
585 MAG 0.8770
586 A13 0.8770
587 SE2 0.8766
588 RM1 0.8765
589 2JK 0.8763
590 9FL 0.8763
591 KJU 0.8762
592 I3C 0.8761
593 3R9 0.8760
594 SYR 0.8760
595 95Z 0.8759
596 G4D 0.8758
597 5B1 0.8757
598 HHR 0.8756
599 PD2 0.8756
600 MZB 0.8754
601 DHB 0.8753
602 39U 0.8751
603 QM1 0.8750
604 Q71 0.8749
605 SKM 0.8749
606 VNJ 0.8747
607 6R8 0.8744
608 4ZC 0.8743
609 FA3 0.8739
610 4TU 0.8739
611 ENL 0.8738
612 X0W 0.8738
613 IPZ 0.8737
614 SFU 0.8737
615 TFU 0.8733
616 N7P 0.8732
617 XYS 0.8732
618 SHA 0.8731
619 1QP 0.8731
620 OTD 0.8731
621 091 0.8730
622 NBG 0.8728
623 FRU 0.8728
624 LT8 0.8725
625 2GS 0.8725
626 5VL 0.8723
627 F05 0.8723
628 9FQ 0.8722
629 9KH 0.8722
630 MYJ 0.8717
631 PH2 0.8717
632 H62 0.8714
633 J5I 0.8714
634 VC2 0.8713
635 DEE 0.8713
636 P9P 0.8713
637 93K 0.8710
638 KYA 0.8710
639 3PF 0.8708
640 DGJ 0.8708
641 BDF 0.8707
642 9UG 0.8707
643 VYM 0.8707
644 F31 0.8704
645 1XA 0.8704
646 30G 0.8702
647 XXP 0.8700
648 5QY 0.8699
649 BZ3 0.8695
650 XX2 0.8695
651 4NC 0.8695
652 GI3 0.8693
653 JG8 0.8691
654 0F9 0.8690
655 HMU 0.8689
656 PRZ 0.8687
657 6LW 0.8687
658 AY4 0.8685
659 9TW 0.8685
660 MWP 0.8684
661 LT2 0.8683
662 F81 0.8682
663 QWN 0.8682
664 D48 0.8682
665 12M 0.8680
666 GXL 0.8679
667 HA7 0.8678
668 GOO 0.8674
669 INO 0.8671
670 FCB 0.8668
671 LXC 0.8666
672 8MO 0.8663
673 BZX 0.8662
674 EMZ 0.8659
675 GJP 0.8659
676 4RU 0.8659
677 IPT 0.8657
678 CKA 0.8655
679 4V6 0.8654
680 DX3 0.8651
681 VXX 0.8650
682 DQA 0.8649
683 CIT 0.8649
684 SF9 0.8644
685 0RN 0.8643
686 FA6 0.8642
687 FB1 0.8641
688 JIF 0.8640
689 ARP 0.8639
690 GZL 0.8634
691 DFB 0.8632
692 QXW 0.8630
693 G1P 0.8630
694 ONR 0.8630
695 0MK 0.8628
696 MSN 0.8627
697 RH1 0.8626
698 97T 0.8626
699 ARB 0.8620
700 6NT 0.8620
701 GLY PRO 0.8620
702 TBP 0.8620
703 3NT 0.8619
704 0LH 0.8617
705 RM4 0.8612
706 MS9 0.8611
707 3N4 0.8610
708 AHR 0.8608
709 IFM 0.8606
710 49N 0.8605
711 4A5 0.8605
712 4JQ 0.8604
713 K25 0.8598
714 APS 0.8598
715 NBV 0.8597
716 KED 0.8593
717 LAO 0.8590
718 FBV 0.8590
719 RNS 0.8590
720 23J 0.8589
721 3NY 0.8587
722 REL 0.8586
723 2ZM 0.8580
724 IFP 0.8577
725 GAB 0.8577
726 W8G 0.8575
727 SVN 0.8570
728 PJW 0.8566
729 PQK 0.8552
730 IUP 0.8550
731 V1T 0.8548
732 ABI 0.8543
733 ARA 0.8539
734 5GU 0.8535
735 A65 0.8535
736 2CL 0.8534
737 BZJ 0.8528
738 SVD 0.8522
739 6M4 0.8514
740 64K 0.8510
741 H05 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CET; Ligand: PGI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2cet.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CET; Ligand: PGI; 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: 2cet.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback