Receptor
PDB id Resolution Class Description Source Keywords
5OSS 1.7 Å EC: 3.2.1.21 BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH GL IMIDAZOLE THERMOTOGA MARITIMA (STRAIN ATCC 43589DSM 3109 / JCM 10099) GLYCOSYLHYDROLASE THERMOTOGA MARITIMA GLUCOIMIDAZOLE HYDR
Ref.: GLUCO-1 H-IMIDAZOLE: A NEW CLASS OF AZOLE-TYPE BETA-GLUCOSIDASE INHIBITOR. J. AM. CHEM. SOC. V. 140 5045 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:503;
A:504;
A:501;
A:502;
A:506;
A:507;
B:501;
A:505;
B:502;
B:503;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
CL A:508;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
AEZ B:505;
 Valid;
 none;
 Kd = 28.3 uM
200.192 C8 H12 N2 O4 c1[nH...
NA B:504;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
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: AEZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AEZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: AEZ; Similar ligands found: 520
No: Ligand Similarity coefficient
1 GIM 1.0000
2 NTZ 1.0000
3 HTP 0.9964
4 MVL 0.9771
5 TEP 0.9707
6 GTZ 0.9692
7 K17 0.9595
8 GOX 0.9570
9 680 0.9567
10 YSO 0.9527
11 CFF 0.9526
12 5WX 0.9498
13 DQN 0.9480
14 KIF 0.9455
15 GCV 0.9446
16 PFB 0.9415
17 GOG 0.9413
18 9KT 0.9396
19 209 0.9395
20 3WA 0.9392
21 UQ 0.9390
22 H33 0.9372
23 RPQ 0.9370
24 INS 0.9366
25 KIB 0.9365
26 TBS 0.9362
27 KJY 0.9361
28 ZVO 0.9360
29 ISE 0.9350
30 7B3 0.9347
31 UEG 0.9344
32 G3F 0.9343
33 HFB 0.9327
34 06B 0.9325
35 VK3 0.9318
36 BGC 0.9315
37 K32 0.9315
38 GCW 0.9312
39 MIG 0.9310
40 8XQ 0.9306
41 MT5 0.9294
42 PCI 0.9293
43 B57 0.9291
44 PHH 0.9287
45 AMG 0.9284
46 SHG 0.9283
47 GLC 0.9281
48 DPZ 0.9280
49 PXL 0.9273
50 HLZ 0.9261
51 BCF 0.9260
52 12B 0.9257
53 GT0 0.9255
54 NDM 0.9255
55 JBQ 0.9254
56 LI6 0.9250
57 B60 0.9246
58 BBF 0.9242
59 JUG 0.9240
60 LGC 0.9240
61 GCS 0.9238
62 3MG 0.9238
63 FLV 0.9236
64 8S0 0.9233
65 7VJ 0.9230
66 IBF 0.9224
67 XAN 0.9220
68 IBM 0.9219
69 PHT 0.9218
70 NQ 0.9217
71 GRE 0.9215
72 GLA 0.9205
73 MXX 0.9204
74 G1O 0.9200
75 F3B 0.9199
76 GUN 0.9192
77 G5V 0.9190
78 M0Q 0.9190
79 MAQ 0.9189
80 K8X 0.9186
81 7VS 0.9185
82 MMA 0.9173
83 BNT 0.9170
84 RXA 0.9168
85 18N 0.9168
86 DBJ 0.9167
87 PX7 0.9165
88 IJZ 0.9162
89 GCU 0.9161
90 7ZE 0.9158
91 FOT 0.9158
92 EJZ 0.9150
93 GTL 0.9149
94 NTM 0.9145
95 PYQ 0.9140
96 HQD 0.9138
97 MAN 0.9137
98 37T 0.9136
99 4HC 0.9134
100 HH5 0.9133
101 MBG 0.9124
102 2MN 0.9122
103 HNQ 0.9120
104 GAL 0.9119
105 AZ9 0.9114
106 QAT 0.9111
107 9DG 0.9109
108 K22 0.9109
109 6F0 0.9108
110 UAN 0.9106
111 HJP 0.9105
112 BSP 0.9100
113 KLW 0.9098
114 6M1 0.9098
115 3IT 0.9092
116 2ZQ 0.9090
117 9MG 0.9090
118 MA3 0.9089
119 3HA 0.9089
120 5QX 0.9086
121 K6X 0.9085
122 TTY 0.9084
123 UNC 0.9082
124 Q7A 0.9082
125 15L 0.9082
126 3GQ 0.9079
127 2ZV 0.9075
128 PE0 0.9071
129 2H5 0.9066
130 GLT 0.9065
131 AZ8 0.9065
132 329 0.9063
133 PXM 0.9061
134 MT8 0.9061
135 ADK 0.9060
136 MT0 0.9059
137 C2U 0.9058
138 HZQ 0.9057
139 GJS 0.9057
140 URC 0.9055
141 GM7 0.9053
142 5WY 0.9052
143 TTL 0.9052
144 42C 0.9051
145 CLZ 0.9047
146 FH2 0.9047
147 BEA 0.9039
148 AQO 0.9039
149 Q6T 0.9037
150 GAF 0.9037
151 HXX 0.9036
152 KBG 0.9032
153 39A 0.9031
154 BDP 0.9030
155 SYA 0.9028
156 Q24 0.9027
157 3C1 0.9026
158 BMA 0.9026
159 M5K 0.9025
160 226 0.9025
161 M3S 0.9024
162 FDB 0.9023
163 5NS 0.9020
164 GCB 0.9020
165 INE 0.9019
166 32X 0.9016
167 QAS 0.9013
168 FBG 0.9013
169 3M0 0.9012
170 495 0.9011
171 GZ8 0.9006
172 DBH 0.9005
173 FDK 0.9004
174 6GU 0.9003
175 AJ2 0.9002
176 1XN 0.9002
177 3C2 0.9002
178 MEW 0.9000
179 X05 0.8994
180 GYP 0.8993
181 G2F 0.8992
182 948 0.8990
183 EVA 0.8990
184 7NI 0.8989
185 M1H 0.8989
186 82I 0.8986
187 A2F 0.8985
188 YQA 0.8984
189 9FQ 0.8980
190 DX4 0.8977
191 EQT 0.8976
192 D07 0.8975
193 0CU 0.8973
194 IGA 0.8973
195 0N7 0.8970
196 AZG 0.8969
197 290 0.8968
198 1LQ 0.8968
199 KFH 0.8966
200 3RI 0.8965
201 1U6 0.8963
202 AKH 0.8962
203 B53 0.8962
204 0P6 0.8961
205 HHA 0.8961
206 NOJ 0.8959
207 X6X 0.8959
208 1X7 0.8958
209 YH7 0.8956
210 141 0.8956
211 DIU 0.8955
212 MO8 0.8953
213 TOF 0.8951
214 4AA 0.8951
215 AZA 0.8950
216 CTS 0.8949
217 6AP 0.8949
218 GIO 0.8949
219 25W 0.8947
220 FHN 0.8943
221 3MA 0.8943
222 DRL 0.8943
223 DHQ 0.8940
224 3F0 0.8940
225 G6D 0.8940
226 AIN 0.8940
227 1XM 0.8939
228 X8D 0.8936
229 5NE 0.8935
230 MUA 0.8934
231 SWA 0.8934
232 PRF 0.8931
233 FE DB1 0.8927
234 SXS 0.8927
235 MAG 0.8924
236 VNL 0.8923
237 EXO 0.8920
238 KIA 0.8920
239 LSA 0.8918
240 4AN 0.8916
241 JKZ 0.8915
242 X09 0.8913
243 5RG 0.8912
244 DNC 0.8911
245 8TX 0.8910
246 2FG 0.8910
247 3FH 0.8909
248 I6G 0.8908
249 ZB1 0.8907
250 NID 0.8901
251 APZ 0.8900
252 BTE 0.8900
253 L7T 0.8899
254 4MU 0.8898
255 TVP 0.8897
256 BOA 0.8896
257 HH8 0.8894
258 MFU 0.8894
259 I1N 0.8890
260 FSW 0.8889
261 XXR 0.8888
262 HQY 0.8888
263 FBT 0.8888
264 R8V 0.8887
265 GTQ 0.8887
266 0W8 0.8882
267 CN0 0.8882
268 24W 0.8881
269 3RK 0.8880
270 OA3 0.8876
271 5WU 0.8874
272 I3A 0.8873
273 KT7 0.8871
274 QPR 0.8871
275 B62 0.8871
276 4XH 0.8868
277 5Q0 0.8867
278 5RO 0.8867
279 K3Q 0.8866
280 WOO 0.8866
281 BCP 0.8865
282 94B 0.8864
283 JPZ 0.8863
284 4YS 0.8862
285 SRO 0.8862
286 ES1 0.8861
287 12Q 0.8860
288 QX2 0.8860
289 67N 0.8860
290 CFP 0.8860
291 QWW 0.8857
292 1GN 0.8857
293 ZZ8 0.8857
294 7HQ 0.8857
295 PA1 0.8856
296 BTY 0.8856
297 9PY 0.8856
298 4KL 0.8855
299 5IQ 0.8854
300 SAL 0.8851
301 2FQ 0.8850
302 5SG 0.8850
303 D3M 0.8849
304 GIV 0.8849
305 BE2 0.8848
306 6BL 0.8846
307 DQU 0.8846
308 UFO 0.8845
309 N5J 0.8843
310 1SQ 0.8842
311 F1A 0.8842
312 75K 0.8842
313 293 0.8841
314 PQ0 0.8840
315 HQT 0.8840
316 AFR 0.8839
317 EA1 0.8834
318 CKX 0.8831
319 ADA 0.8830
320 149 0.8830
321 M1A 0.8830
322 SOR 0.8827
323 KJH 0.8824
324 8CM 0.8824
325 JU2 0.8822
326 FA0 0.8822
327 3Z8 0.8820
328 5M0 0.8820
329 7W1 0.8820
330 5CL 0.8820
331 KYD 0.8819
332 LZ2 0.8819
333 5VJ 0.8818
334 582 0.8817
335 B55 0.8817
336 XHP 0.8817
337 5CU 0.8811
338 7B4 0.8807
339 BRV 0.8806
340 HPA 0.8803
341 ADE 0.8802
342 KDO 0.8801
343 44V 0.8799
344 M1Q 0.8799
345 GYE 0.8798
346 J9W 0.8796
347 DHK 0.8795
348 ZWZ 0.8794
349 JBK 0.8793
350 CBF 0.8792
351 DOB 0.8792
352 ALL 0.8791
353 ASO 0.8791
354 S3B 0.8788
355 LKA 0.8787
356 JXN 0.8786
357 YIO 0.8784
358 RAM 0.8783
359 JTH 0.8783
360 H6B 0.8782
361 M0W 0.8779
362 K37 0.8778
363 DNA 0.8777
364 ICO 0.8776
365 3U4 0.8775
366 5JQ 0.8774
367 XYP 0.8774
368 2AK 0.8772
369 GLF 0.8770
370 7D2 0.8766
371 M6N 0.8761
372 F12 0.8757
373 A7W 0.8756
374 Z5P 0.8756
375 FYU 0.8755
376 MHK 0.8755
377 F5B 0.8755
378 1NP 0.8755
379 SOE 0.8754
380 Q88 0.8753
381 FUL 0.8753
382 5RN 0.8749
383 O2A 0.8749
384 GSY 0.8749
385 44W 0.8747
386 2KA 0.8746
387 XQK 0.8743
388 QX4 0.8743
389 3TJ 0.8742
390 8IG 0.8742
391 PBR 0.8740
392 9TZ 0.8738
393 10L 0.8737
394 6ME 0.8737
395 54G 0.8737
396 4ME 0.8735
397 FCA 0.8734
398 1WD 0.8733
399 M1E 0.8732
400 GDE 0.8732
401 JXW 0.8731
402 GTR 0.8730
403 G12 0.8729
404 JKE 0.8727
405 FUC 0.8726
406 1LM 0.8724
407 JBH 0.8723
408 3DM 0.8722
409 NOY 0.8722
410 RNS 0.8720
411 QM1 0.8720
412 OTW 0.8717
413 CWS 0.8717
414 FUF 0.8713
415 GI3 0.8712
416 RM4 0.8710
417 FCB 0.8710
418 IV2 0.8710
419 ENL 0.8709
420 ES6 0.8708
421 BK9 0.8707
422 7HP 0.8707
423 TFU 0.8706
424 BM3 0.8706
425 7WV 0.8706
426 5NU 0.8705
427 H5B 0.8704
428 6VD 0.8702
429 MVN 0.8701
430 SFU 0.8701
431 0FN 0.8698
432 LOG 0.8698
433 5JL 0.8698
434 0FO 0.8697
435 2D0 0.8695
436 ES0 0.8695
437 PRZ 0.8695
438 CWM 0.8694
439 20J 0.8693
440 BHA 0.8690
441 7MH 0.8688
442 23A 0.8684
443 9DA 0.8683
444 8GK 0.8682
445 IFL 0.8681
446 Q77 0.8680
447 60Q 0.8679
448 5MK 0.8679
449 M5N 0.8677
450 KUF 0.8676
451 64C 0.8676
452 ORO 0.8676
453 FLC 0.8675
454 EMZ 0.8672
455 KGK 0.8671
456 DMJ 0.8670
457 SKA 0.8670
458 LDR 0.8668
459 6CS 0.8667
460 ASC 0.8667
461 XAZ 0.8666
462 ADZ 0.8665
463 SJ5 0.8662
464 4M0 0.8661
465 LXC 0.8660
466 DMD 0.8660
467 NAG 0.8656
468 GXY 0.8650
469 BP1 0.8650
470 DIN 0.8648
471 K2P 0.8648
472 3ID 0.8640
473 Q71 0.8637
474 1KP 0.8632
475 VNJ 0.8632
476 XYS 0.8631
477 6MP 0.8630
478 HKD 0.8629
479 MZB 0.8628
480 67X 0.8627
481 T6C 0.8624
482 FDR 0.8623
483 MFB 0.8622
484 39U 0.8621
485 7WA 0.8620
486 MRW 0.8619
487 SNG 0.8618
488 3R9 0.8617
489 9HX 0.8615
490 7M6 0.8614
491 G3E 0.8614
492 JXZ 0.8614
493 OXC 0.8613
494 GXL 0.8612
495 8MO 0.8611
496 2EC 0.8610
497 XXP 0.8607
498 7WR 0.8607
499 NGO 0.8604
500 BPU 0.8599
501 CIP 0.8594
502 0RN 0.8594
503 DIE 0.8589
504 G4D 0.8585
505 SHA 0.8581
506 GLG 0.8578
507 N7P 0.8575
508 28N 0.8574
509 ES4 0.8570
510 5QY 0.8568
511 DOR 0.8565
512 SF9 0.8555
513 IPT 0.8551
514 NLA 0.8551
515 JIF 0.8550
516 MM5 0.8548
517 SE2 0.8545
518 PM6 0.8540
519 BDF 0.8525
520 NBG 0.8523
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
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