Receptor
PDB id Resolution Class Description Source Keywords
2CBV 1.95 Å EC: 3.2.1.21 BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH CALYSTEGINE B2 THERMOTOGA MARITIMA GLYCOSIDE HYDROLASE INHIBITOR TRANSITION STATE MIMIC FAMILY 1 CARBOHYDRATE METABOLISM CELLULOSE DEGRADATION GLYCOSIDASE HYDROLASE POLYSACCHARIDE DEGRADATION
Ref.: DISSECTION OF CONFORMATIONALLY RESTRICTED INHIBITORS BINDING TO A BETA-GLUCOSIDASE. CHEMBIOCHEM V. 7 738 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1448;
B:1446;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
CGB A:1447;
B:1445;
 Valid;
Valid;
 none;
none;
 Kd = 3.3 uM
175.182 C7 H13 N O4 C1C[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: CGB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CGB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CGB; Similar ligands found: 460
No: Ligand Similarity coefficient
1 FCA 0.9649
2 5DI 0.9592
3 B0D 0.9579
4 FUC 0.9552
5 BGC 0.9537
6 BMA 0.9524
7 3RK 0.9522
8 XYP 0.9493
9 SOE 0.9466
10 GLC 0.9451
11 AFR 0.9435
12 DZX 0.9431
13 KBG 0.9420
14 GAF 0.9417
15 GLA 0.9395
16 G3F 0.9394
17 LXC 0.9384
18 RAM 0.9377
19 2FG 0.9373
20 FUL 0.9353
21 PA1 0.9343
22 X6X 0.9342
23 INS 0.9338
24 0MK 0.9334
25 4PW 0.9330
26 GLF 0.9328
27 FRU 0.9328
28 FUF 0.9319
29 XYS 0.9316
30 GAL 0.9316
31 6HQ 0.9312
32 ARB 0.9311
33 94B 0.9308
34 948 0.9301
35 YTB 0.9300
36 ISE 0.9297
37 I1N 0.9278
38 ARA 0.9275
39 BDF 0.9271
40 3DY 0.9265
41 ABE 0.9249
42 SEJ 0.9238
43 LRH 0.9235
44 G2F 0.9226
45 8S0 0.9223
46 GOO 0.9221
47 EXO 0.9203
48 FCB 0.9198
49 DGJ 0.9190
50 25W 0.9186
51 RM4 0.9183
52 RNS 0.9165
53 NOJ 0.9161
54 XXR 0.9153
55 G6D 0.9148
56 AHR 0.9146
57 7D2 0.9142
58 64K 0.9134
59 MNM 0.9131
60 FH2 0.9127
61 LCN 0.9124
62 IFL 0.9123
63 NOY 0.9112
64 ARW 0.9112
65 MFB 0.9107
66 MAN 0.9101
67 GXL 0.9100
68 FDK 0.9099
69 CAM 0.9096
70 FX1 0.9096
71 RIP 0.9094
72 AMG 0.9094
73 GYP 0.9090
74 149 0.9089
75 LFR 0.9089
76 IF7 0.9088
77 6KX 0.9088
78 ASO 0.9088
79 BFM 0.9068
80 2H5 0.9060
81 GCS 0.9056
82 NHC 0.9055
83 LGC 0.9048
84 PYG 0.9047
85 2GS 0.9046
86 SF9 0.9046
87 FHN 0.9044
88 DFU 0.9041
89 MFU 0.9040
90 URF 0.9039
91 HPA 0.9039
92 GLT 0.9036
93 1GN 0.9035
94 ALL 0.9032
95 ADE 0.9026
96 SFU 0.9021
97 ZB1 0.9019
98 IFM 0.9013
99 PAV 0.9009
100 MA3 0.8994
101 BTE 0.8994
102 34V 0.8993
103 WBU 0.8983
104 PSV 0.8975
105 FPY 0.8974
106 MSN 0.8972
107 7HP 0.8969
108 0TR 0.8969
109 YHO 0.8969
110 YIO 0.8967
111 DMJ 0.8964
112 RIB 0.8958
113 Z6J 0.8957
114 G4D 0.8956
115 WOO 0.8953
116 GIV 0.8951
117 ADA 0.8949
118 GIF 0.8943
119 ENL 0.8942
120 3WA 0.8941
121 PAF 0.8936
122 A1U 0.8931
123 RUU 0.8930
124 PXM 0.8929
125 Q88 0.8929
126 FYU 0.8927
127 AGK 0.8926
128 4XR 0.8923
129 SAL 0.8919
130 PYD 0.8919
131 ICP 0.8919
132 ASC 0.8918
133 OXZ 0.8915
134 95Z 0.8914
135 QOS 0.8913
136 PBE 0.8913
137 4ZE 0.8913
138 SHG 0.8909
139 41K 0.8908
140 XBZ 0.8908
141 MWM 0.8906
142 TM7 0.8905
143 6LW 0.8904
144 329 0.8904
145 XYD 0.8903
146 TDR 0.8902
147 FSW 0.8902
148 6MP 0.8901
149 MCT 0.8896
150 N8P 0.8896
151 1MC 0.8896
152 AZF 0.8896
153 MBG 0.8895
154 2MP 0.8893
155 34A 0.8891
156 275 0.8890
157 SF6 0.8890
158 F5B 0.8889
159 6F0 0.8887
160 2AC 0.8886
161 ES4 0.8884
162 TNE 0.8884
163 MMA 0.8883
164 DQN 0.8883
165 GYE 0.8882
166 9DA 0.8882
167 5WX 0.8878
168 4HO 0.8878
169 2YU 0.8872
170 SWD 0.8872
171 2XX 0.8871
172 HT4 0.8869
173 82I 0.8866
174 GRE 0.8863
175 PTO 0.8861
176 9HX 0.8859
177 M1A 0.8858
178 PM6 0.8856
179 CTS 0.8856
180 MZB 0.8856
181 RPQ 0.8851
182 9TY 0.8849
183 BP1 0.8849
184 UEG 0.8848
185 KPL 0.8848
186 GUN 0.8846
187 MZG 0.8845
188 8EZ 0.8845
189 3M0 0.8843
190 7WA 0.8843
191 BR9 0.8842
192 GTR 0.8842
193 5UC 0.8842
194 39A 0.8841
195 1LQ 0.8840
196 GIO 0.8840
197 4JJ 0.8835
198 XAN 0.8835
199 10L 0.8834
200 5MH 0.8833
201 SWA 0.8832
202 PFB 0.8832
203 DIG 0.8832
204 LKA 0.8832
205 DFB 0.8830
206 3F0 0.8830
207 4CL 0.8828
208 EQT 0.8828
209 TH0 0.8826
210 27Y 0.8826
211 8H8 0.8825
212 3MC 0.8825
213 HHA 0.8825
214 GTZ 0.8824
215 HMH 0.8824
216 GCU 0.8824
217 23A 0.8823
218 5JC 0.8823
219 GLU 0.8822
220 KJY 0.8820
221 43M 0.8819
222 H62 0.8817
223 7MH 0.8817
224 7HQ 0.8813
225 JZ2 0.8813
226 BDR 0.8812
227 B53 0.8810
228 X09 0.8810
229 KKN 0.8807
230 GOX 0.8804
231 T6C 0.8801
232 3DM 0.8799
233 HFB 0.8797
234 TAR 0.8797
235 HXX 0.8796
236 FAC 0.8795
237 1WG 0.8794
238 3MG 0.8792
239 7W4 0.8791
240 MWJ 0.8790
241 5Q0 0.8790
242 ADZ 0.8789
243 150 0.8789
244 FPK 0.8787
245 PXL 0.8787
246 3ZQ 0.8786
247 QIC 0.8786
248 JIF 0.8786
249 67N 0.8785
250 MVL 0.8784
251 KYD 0.8782
252 SVJ 0.8782
253 O72 0.8782
254 9EW 0.8782
255 RXR 0.8781
256 4JO 0.8780
257 F05 0.8780
258 BDP 0.8779
259 RSF 0.8778
260 9MG 0.8778
261 0W8 0.8777
262 HLR 0.8775
263 IDH 0.8774
264 HQY 0.8773
265 ADK 0.8773
266 ISN 0.8771
267 5IQ 0.8771
268 CAQ 0.8770
269 OFQ 0.8769
270 ZZT 0.8767
271 ES1 0.8766
272 N5J 0.8765
273 1NP 0.8764
274 3HA 0.8761
275 TLA 0.8760
276 JPZ 0.8760
277 HMU 0.8760
278 1SQ 0.8759
279 1LM 0.8759
280 FUB 0.8758
281 4P0 0.8758
282 9DG 0.8758
283 5SG 0.8756
284 7B4 0.8755
285 TLD 0.8754
286 FLM 0.8753
287 7VJ 0.8752
288 BCF 0.8752
289 ES6 0.8750
290 6M1 0.8750
291 R8V 0.8750
292 24W 0.8748
293 AZA 0.8747
294 3Z7 0.8746
295 1XX 0.8745
296 BBF 0.8745
297 CNL 0.8745
298 3U4 0.8744
299 CN0 0.8743
300 MBD 0.8743
301 I3A 0.8742
302 9PY 0.8741
303 24B 0.8741
304 3FA 0.8740
305 I2M 0.8740
306 KOJ 0.8740
307 B57 0.8738
308 Y8I 0.8737
309 BE2 0.8736
310 5QX 0.8736
311 2ZV 0.8736
312 4YS 0.8736
313 JBH 0.8735
314 2MY 0.8728
315 3SK 0.8726
316 3MA 0.8725
317 2C9 0.8724
318 MLT 0.8724
319 NSP 0.8724
320 LDU 0.8723
321 BZX 0.8723
322 ZWZ 0.8722
323 4XH 0.8722
324 4ZC 0.8721
325 ES7 0.8720
326 L3Q 0.8717
327 2CQ 0.8714
328 FFP 0.8710
329 5NU 0.8710
330 ES0 0.8709
331 2CM 0.8708
332 X05 0.8706
333 DBH 0.8705
334 5WV 0.8704
335 CWM 0.8702
336 HTP 0.8702
337 TH7 0.8702
338 JBQ 0.8701
339 IUR 0.8699
340 GMN 0.8697
341 260 0.8697
342 JZ3 0.8696
343 3V4 0.8696
344 1PT 0.8694
345 6M4 0.8690
346 G5V 0.8690
347 IDM 0.8688
348 1U6 0.8687
349 5FN 0.8686
350 F81 0.8686
351 TEP 0.8686
352 0RW 0.8685
353 FLA 0.8685
354 N7P 0.8684
355 A2F 0.8684
356 H76 0.8680
357 SVN 0.8679
358 6AP 0.8676
359 6GU 0.8676
360 3MH 0.8675
361 URC 0.8673
362 NK2 0.8673
363 CAH 0.8671
364 2MN 0.8671
365 6MH 0.8671
366 HH5 0.8671
367 40O 0.8671
368 HX3 0.8670
369 3XX 0.8670
370 CFP 0.8664
371 IGA 0.8663
372 7CZ 0.8663
373 5RG 0.8662
374 URQ 0.8662
375 2CK 0.8661
376 290 0.8661
377 45C 0.8660
378 CTL 0.8659
379 IBF 0.8659
380 GTQ 0.8658
381 AUD 0.8656
382 GCV 0.8656
383 0CT 0.8656
384 1DW 0.8655
385 3CE 0.8651
386 GVH 0.8649
387 0R1 0.8646
388 DEN 0.8645
389 TMH 0.8645
390 TCM 0.8644
391 NK 0.8643
392 LZ1 0.8642
393 DX4 0.8641
394 V55 0.8639
395 BEW 0.8639
396 VNJ 0.8639
397 HY3 0.8638
398 BZI 0.8638
399 AZG 0.8637
400 8TX 0.8637
401 TTL 0.8634
402 FDB 0.8634
403 JKE 0.8633
404 308 0.8633
405 6M9 0.8633
406 4HM 0.8633
407 DUB 0.8630
408 TC7 0.8629
409 QUZ 0.8626
410 BZF 0.8625
411 0P6 0.8624
412 54G 0.8623
413 DMD 0.8619
414 IND 0.8616
415 FBT 0.8615
416 1XN 0.8613
417 2K4 0.8611
418 NPY 0.8610
419 JZ9 0.8610
420 BTY 0.8609
421 0R0 0.8609
422 R8A 0.8607
423 PCI 0.8606
424 0CU 0.8600
425 IPM 0.8599
426 5CU 0.8598
427 4RW 0.8598
428 286 0.8596
429 R2B 0.8594
430 4HC 0.8594
431 TBP 0.8594
432 DOB 0.8592
433 AI2 0.8592
434 141 0.8591
435 NMJ 0.8591
436 RHU 0.8590
437 270 0.8590
438 5MI 0.8587
439 LMR 0.8585
440 SOR 0.8585
441 MPI 0.8585
442 4JP 0.8583
443 5H1 0.8578
444 AX7 0.8576
445 2EC 0.8575
446 ASP 0.8572
447 4AA 0.8570
448 K6H 0.8569
449 PEP 0.8561
450 EVA 0.8561
451 OAA 0.8557
452 M0W 0.8548
453 TFU 0.8545
454 ECE 0.8541
455 2MH 0.8525
456 NTM 0.8525
457 M0Q 0.8521
458 SJ5 0.8519
459 NDG 0.8515
460 CRN 0.8514
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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