Receptor
PDB id Resolution Class Description Source Keywords
1w3j 2 Å EC: 3.2.1.21 FAMILY 1 B-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH TETRAHYDROOXAZINE THERMOTOGA MARITIMA HYDROLASE GLUCOSIDE HYDROLYSIS FAMILY GH1 ENZYME TETRAHYDROOXAZINE
Ref.: STRUCTURAL, THERMODYNAMIC, AND KINETIC ANALYSES OF TETRAHYDROOXAZINE-DERIVED INHIBITORS BOUND TO {BETA}-GLUCOSIDASES J.BIOL.CHEM. V. 279 49236 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OXZ A:1447;
B:1445;
Valid;
Valid;
none;
none;
Kd = 484 nM
149.145 C5 H11 N O4 C1[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: OXZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 OXZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: OXZ; Similar ligands found: 1138
No: Ligand Similarity coefficient
1 IFM 1.0000
2 AZF 1.0000
3 DFB 1.0000
4 JZ3 0.9793
5 F81 0.9747
6 DBH 0.9733
7 PYG 0.9732
8 3HA 0.9731
9 23A 0.9722
10 NOJ 0.9721
11 LCN 0.9715
12 GLC 0.9708
13 R8A 0.9706
14 3DM 0.9704
15 FYU 0.9702
16 3M0 0.9694
17 NK 0.9694
18 G2F 0.9691
19 SJ5 0.9685
20 GMN 0.9677
21 3F0 0.9677
22 URF 0.9674
23 MAN 0.9670
24 DMJ 0.9667
25 2CM 0.9663
26 MBD 0.9660
27 FE DB1 0.9651
28 NOY 0.9648
29 0R0 0.9648
30 WBU 0.9646
31 2C9 0.9645
32 286 0.9643
33 2MY 0.9640
34 IFL 0.9633
35 3FA 0.9632
36 HBA 0.9632
37 3XX 0.9627
38 RIB 0.9627
39 AHR 0.9622
40 6MH 0.9621
41 P3K 0.9619
42 MNM 0.9618
43 ASO 0.9614
44 3CE 0.9612
45 1AB 0.9609
46 TM4 0.9606
47 FLM 0.9605
48 FFP 0.9605
49 DUB 0.9604
50 LXC 0.9594
51 BE2 0.9589
52 8H8 0.9586
53 XYP 0.9578
54 DIE 0.9577
55 3MC 0.9577
56 BTE 0.9575
57 BGC 0.9570
58 SAL 0.9567
59 LYL 0.9557
60 SYN 0.9553
61 3MH 0.9551
62 HGQ 0.9544
63 HBX 0.9543
64 ZZT 0.9535
65 261 0.9534
66 FP1 0.9527
67 IJZ 0.9522
68 XYS 0.9517
69 260 0.9510
70 HPA 0.9510
71 T6C 0.9510
72 7MH 0.9508
73 JZ1 0.9505
74 4VP 0.9504
75 64K 0.9501
76 2XX 0.9500
77 94N 0.9498
78 F05 0.9495
79 NEQ 0.9493
80 R2B 0.9489
81 ES6 0.9488
82 ABN 0.9487
83 HMU 0.9487
84 GIF 0.9485
85 AGK 0.9484
86 3U4 0.9479
87 GRE 0.9473
88 6F0 0.9471
89 CRS 0.9470
90 B57 0.9470
91 BZX 0.9467
92 AFR 0.9465
93 LGC 0.9462
94 GAB 0.9460
95 HXX 0.9452
96 BMA 0.9448
97 HHA 0.9443
98 G3F 0.9440
99 6UA 0.9439
100 GAL 0.9438
101 3NT 0.9437
102 ADE 0.9436
103 1LN 0.9433
104 1LQ 0.9429
105 4SV 0.9427
106 URA 0.9427
107 9DG 0.9427
108 VNJ 0.9426
109 C2A 0.9425
110 4CH 0.9417
111 3HB 0.9413
112 26D 0.9412
113 7B4 0.9411
114 Q88 0.9411
115 OVV 0.9410
116 GUN 0.9404
117 XAN 0.9402
118 3SK 0.9399
119 G5V 0.9398
120 BML 0.9398
121 5CU 0.9397
122 IP0 0.9388
123 FOT 0.9388
124 ARB 0.9385
125 SOE 0.9384
126 BDP 0.9382
127 JKE 0.9380
128 1PT 0.9379
129 JZ4 0.9377
130 BSX 0.9376
131 PRY 0.9372
132 948 0.9371
133 PA1 0.9369
134 7HP 0.9369
135 B53 0.9369
136 FUC 0.9369
137 BEW 0.9368
138 GLF 0.9367
139 KOJ 0.9367
140 1WD 0.9366
141 6M1 0.9365
142 1XX 0.9364
143 0MK 0.9361
144 I3A 0.9361
145 BDF 0.9359
146 24B 0.9359
147 GCS 0.9358
148 53C 0.9358
149 HMH 0.9357
150 94B 0.9356
151 FRU 0.9355
152 2H5 0.9355
153 ARA 0.9353
154 23W 0.9353
155 KP6 0.9347
156 JBK 0.9345
157 NBZ 0.9345
158 NSP 0.9341
159 EDG 0.9339
160 RIP 0.9339
161 PYJ 0.9338
162 BEZ 0.9337
163 DOB 0.9336
164 KBG 0.9335
165 DFU 0.9333
166 82I 0.9332
167 BEN 0.9329
168 FUL 0.9328
169 PHB 0.9328
170 4AA 0.9327
171 1MC 0.9325
172 SHG 0.9323
173 2LP 0.9321
174 ORO 0.9320
175 5WX 0.9319
176 K5W 0.9319
177 FA0 0.9319
178 NIO 0.9319
179 TMT 0.9317
180 284 0.9316
181 NPO 0.9315
182 TH7 0.9314
183 MWM 0.9312
184 IDM 0.9312
185 MZW 0.9312
186 QOS 0.9308
187 Q6T 0.9307
188 4M0 0.9307
189 3IT 0.9306
190 7WV 0.9304
191 6PC 0.9304
192 4ZE 0.9303
193 AMC 0.9303
194 BAM 0.9303
195 URC 0.9303
196 6M4 0.9302
197 3OC 0.9302
198 KYD 0.9301
199 CN0 0.9300
200 A1U 0.9299
201 APY 0.9299
202 2AC 0.9298
203 NCA 0.9298
204 7HQ 0.9296
205 MCT 0.9295
206 8S0 0.9293
207 CRN 0.9292
208 3RK 0.9292
209 GAG 0.9292
210 1MR 0.9291
211 TBP 0.9291
212 B24 0.9290
213 5NU 0.9289
214 4HO 0.9288
215 P72 0.9288
216 TMZ 0.9286
217 2HO 0.9286
218 HJP 0.9284
219 4NC 0.9284
220 V55 0.9284
221 ZZ3 0.9282
222 HX3 0.9280
223 AKH 0.9279
224 PXM 0.9279
225 ROR 0.9278
226 MMA 0.9278
227 C2U 0.9275
228 OHG 0.9274
229 FAN 0.9273
230 RP7 0.9271
231 FPI 0.9268
232 PAB 0.9268
233 LDU 0.9267
234 3FH 0.9267
235 2MP 0.9265
236 D1X 0.9265
237 FBT 0.9263
238 HPY 0.9261
239 DHB 0.9261
240 OAA 0.9260
241 FCB 0.9259
242 34A 0.9257
243 9CL 0.9257
244 UNU 0.9257
245 BHA 0.9256
246 IDH 0.9256
247 MSN 0.9255
248 4XR 0.9254
249 XQG 0.9253
250 PAF 0.9253
251 5RG 0.9252
252 KIB 0.9251
253 KIA 0.9251
254 RCO 0.9250
255 XYD 0.9249
256 FUF 0.9249
257 RSF 0.9249
258 TDR 0.9248
259 MZG 0.9248
260 XBZ 0.9246
261 4CL 0.9242
262 ARW 0.9242
263 GXL 0.9242
264 XYL 0.9241
265 RB5 0.9241
266 G4D 0.9241
267 1GN 0.9240
268 8TX 0.9239
269 54G 0.9238
270 GOO 0.9235
271 GLA 0.9235
272 4JJ 0.9233
273 S76 0.9233
274 5OB 0.9233
275 KJY 0.9232
276 ICP 0.9231
277 PYD 0.9231
278 3Z7 0.9231
279 DGJ 0.9230
280 TLA 0.9229
281 HH5 0.9229
282 3WA 0.9229
283 JZ7 0.9226
284 BP9 0.9225
285 PBE 0.9225
286 ICC 0.9224
287 27Y 0.9222
288 2ZV 0.9222
289 GCU 0.9222
290 PZA 0.9221
291 TM7 0.9220
292 PXL 0.9220
293 51F 0.9219
294 3BZ 0.9219
295 NMJ 0.9217
296 3DO 0.9216
297 HIO 0.9215
298 4JL 0.9215
299 5RN 0.9215
300 SWA 0.9214
301 TZE 0.9213
302 6HQ 0.9213
303 2YU 0.9212
304 LG3 0.9212
305 R1X 0.9211
306 60P 0.9209
307 2CH 0.9208
308 BVF 0.9206
309 BR9 0.9205
310 282 0.9204
311 SEJ 0.9203
312 INO 0.9203
313 42C 0.9202
314 PBC 0.9202
315 GTQ 0.9201
316 BZ3 0.9201
317 32O 0.9200
318 ZWZ 0.9198
319 MBG 0.9198
320 MYJ 0.9197
321 DIU 0.9196
322 XM0 0.9195
323 IF7 0.9194
324 7VJ 0.9194
325 3CH 0.9193
326 EUG 0.9193
327 NTN 0.9193
328 IMR 0.9192
329 HT4 0.9191
330 4H2 0.9191
331 MWJ 0.9185
332 5UC 0.9185
333 NBE 0.9185
334 JZ2 0.9184
335 ADK 0.9183
336 4CS 0.9182
337 Z82 0.9182
338 RM4 0.9181
339 YSO 0.9181
340 ADZ 0.9180
341 4PW 0.9180
342 OXC 0.9179
343 1P8 0.9176
344 RNS 0.9175
345 LG5 0.9174
346 280 0.9174
347 3AB 0.9174
348 HZP 0.9174
349 O7U 0.9173
350 CYT 0.9173
351 1Y6 0.9172
352 DOR 0.9171
353 GBD 0.9170
354 PY7 0.9168
355 8GF 0.9168
356 XUL 0.9168
357 2A7 0.9166
358 SRT 0.9166
359 3MA 0.9165
360 HY1 0.9164
361 0P6 0.9164
362 MFB 0.9163
363 H3M 0.9162
364 PZI 0.9162
365 ICO 0.9161
366 QSC 0.9160
367 2MH 0.9160
368 JBE 0.9159
369 5JC 0.9156
370 FBV 0.9156
371 P9P 0.9153
372 HEW 0.9152
373 GAF 0.9151
374 2FG 0.9151
375 9TZ 0.9150
376 43M 0.9150
377 95Z 0.9150
378 YCP 0.9150
379 4MA 0.9150
380 TH0 0.9149
381 ECE 0.9149
382 12M 0.9147
383 7VS 0.9147
384 SS2 0.9145
385 X6X 0.9144
386 717 0.9144
387 93K 0.9144
388 IPB 0.9143
389 FPY 0.9142
390 278 0.9141
391 9DA 0.9141
392 5M0 0.9141
393 AC6 0.9141
394 LMR 0.9140
395 2DR 0.9139
396 10L 0.9138
397 OVM 0.9138
398 6KX 0.9137
399 ALL 0.9137
400 271 0.9136
401 FB1 0.9135
402 1XM 0.9133
403 B3R 0.9133
404 CIG 0.9133
405 L3Q 0.9133
406 RSO 0.9133
407 CAQ 0.9133
408 SVN 0.9132
409 HBD 0.9132
410 SYG 0.9131
411 9HX 0.9130
412 285 0.9130
413 PBZ 0.9130
414 RHU 0.9129
415 4HC 0.9129
416 5MH 0.9128
417 40E 0.9126
418 IPH 0.9126
419 M3T 0.9125
420 GIV 0.9125
421 H76 0.9125
422 XX2 0.9125
423 6LW 0.9124
424 CIZ 0.9123
425 BNS 0.9122
426 SHA 0.9121
427 TEP 0.9121
428 5QX 0.9121
429 GDE 0.9121
430 7CZ 0.9120
431 7WA 0.9120
432 6X8 0.9119
433 FCA 0.9118
434 YIO 0.9117
435 4JU 0.9117
436 GCB 0.9116
437 149 0.9115
438 F0J 0.9115
439 2CK 0.9114
440 6MP 0.9113
441 HTS 0.9112
442 TFU 0.9112
443 DHK 0.9112
444 3V4 0.9111
445 4HM 0.9111
446 DBJ 0.9111
447 ASN 0.9111
448 YTB 0.9109
449 FUB 0.9109
450 M0Q 0.9108
451 JFD 0.9106
452 ZB1 0.9106
453 JFJ 0.9104
454 FBA 0.9104
455 141 0.9103
456 CXF 0.9103
457 2A9 0.9102
458 4XX 0.9101
459 AZG 0.9101
460 IPZ 0.9101
461 GYE 0.9099
462 TAR 0.9099
463 AZA 0.9098
464 JZ0 0.9098
465 KPL 0.9097
466 XIY 0.9097
467 URQ 0.9096
468 BP1 0.9095
469 4JO 0.9094
470 UEG 0.9094
471 RUU 0.9094
472 ZXD 0.9094
473 ES2 0.9094
474 6CS 0.9093
475 MAK 0.9091
476 8WO 0.9089
477 YH7 0.9087
478 2AL 0.9087
479 MRY 0.9086
480 9MG 0.9086
481 CHB 0.9086
482 A2F 0.9084
483 6AP 0.9084
484 25W 0.9084
485 5MK 0.9083
486 6AI 0.9082
487 DUC 0.9080
488 24W 0.9080
489 SWD 0.9079
490 5AC 0.9078
491 WOO 0.9078
492 Z6J 0.9077
493 3MG 0.9076
494 HLR 0.9076
495 BR8 0.9074
496 D3M 0.9073
497 XXR 0.9073
498 8GC 0.9070
499 BHO 0.9070
500 IGA 0.9069
501 JIF 0.9069
502 NDM 0.9069
503 YHO 0.9068
504 GIO 0.9068
505 SS1 0.9067
506 9X7 0.9067
507 SX1 0.9066
508 8EZ 0.9066
509 9TW 0.9066
510 DMV 0.9065
511 13X 0.9064
512 PFB 0.9064
513 AW5 0.9063
514 ES4 0.9062
515 BOA 0.9061
516 CEJ 0.9060
517 9EW 0.9059
518 ITN 0.9059
519 WCE 0.9059
520 7WG 0.9059
521 DEN 0.9057
522 PEL 0.9057
523 INE 0.9057
524 VK3 0.9057
525 RBL 0.9056
526 EVA 0.9056
527 VNL 0.9055
528 HLZ 0.9055
529 VGL 0.9054
530 DAS 0.9054
531 PEA 0.9053
532 PYF 0.9052
533 RAM 0.9052
534 NIZ 0.9052
535 290 0.9051
536 40O 0.9051
537 SW7 0.9051
538 TLD 0.9050
539 FP2 0.9050
540 OW4 0.9050
541 EQT 0.9049
542 IUR 0.9049
543 TAG 0.9048
544 3Z8 0.9048
545 AC0 0.9046
546 0TR 0.9045
547 GLT 0.9045
548 OHP 0.9044
549 3MB 0.9044
550 CFP 0.9042
551 4DX 0.9042
552 PM6 0.9041
553 EV0 0.9040
554 AX2 0.9040
555 LZM 0.9040
556 93Q 0.9040
557 ABE 0.9040
558 AUD 0.9040
559 ES0 0.9039
560 34D 0.9038
561 M1E 0.9038
562 GVH 0.9036
563 47J 0.9036
564 RM1 0.9035
565 IND 0.9034
566 5WY 0.9033
567 938 0.9032
568 0R1 0.9032
569 JZ9 0.9031
570 SNE 0.9031
571 6JN 0.9031
572 3AY 0.9030
573 8LG 0.9030
574 92Z 0.9030
575 HSE 0.9030
576 2AF 0.9030
577 TTY 0.9029
578 UNC 0.9029
579 4XV 0.9029
580 Y8I 0.9028
581 WDL 0.9028
582 OXQ 0.9028
583 LSA 0.9028
584 67N 0.9027
585 0RW 0.9027
586 LZ1 0.9027
587 ASC 0.9027
588 ASP 0.9027
589 4ZC 0.9026
590 GOG 0.9024
591 6GU 0.9024
592 14O 0.9023
593 5H1 0.9022
594 KIV 0.9022
595 QSB 0.9022
596 5ZE 0.9021
597 JPZ 0.9021
598 2EC 0.9020
599 2K4 0.9020
600 THE 0.9018
601 BZF 0.9018
602 R9S 0.9018
603 5DI 0.9017
604 VAH 0.9017
605 CWM 0.9016
606 AHB 0.9015
607 HQY 0.9014
608 XLS 0.9013
609 4JP 0.9012
610 SKM 0.9012
611 5MB 0.9011
612 MPI 0.9011
613 2ZX 0.9011
614 1AN 0.9010
615 1M2 0.9010
616 5MI 0.9009
617 35C 0.9009
618 14J 0.9009
619 BZI 0.9008
620 HHQ 0.9008
621 DQN 0.9008
622 1P3 0.9005
623 N5J 0.9004
624 F60 0.9004
625 4HS 0.9004
626 ERH 0.9002
627 G6D 0.9002
628 NTM 0.9001
629 0CT 0.8999
630 H8N 0.8999
631 6M9 0.8998
632 II6 0.8998
633 1U6 0.8998
634 DX4 0.8997
635 DIG 0.8997
636 1XN 0.8997
637 HY3 0.8997
638 BCP 0.8996
639 2CL 0.8996
640 ES9 0.8995
641 LRH 0.8995
642 3ZQ 0.8995
643 4P0 0.8995
644 1DW 0.8993
645 CEE 0.8993
646 2AS 0.8992
647 2IM 0.8992
648 5SG 0.8991
649 RNT 0.8989
650 C2B 0.8989
651 5HN 0.8988
652 1LM 0.8986
653 INS 0.8986
654 AC5 0.8986
655 1F1 0.8986
656 11S 0.8984
657 5AN 0.8984
658 A2Q 0.8984
659 270 0.8980
660 HYA 0.8980
661 YRL 0.8980
662 39A 0.8979
663 QFH 0.8979
664 XQ0 0.8978
665 SVD 0.8978
666 ISZ 0.8975
667 HAI 0.8974
668 DTU 0.8973
669 JBH 0.8972
670 BDR 0.8971
671 AS3 0.8970
672 M2H 0.8970
673 R8S 0.8969
674 M58 0.8969
675 4M4 0.8967
676 A65 0.8967
677 ALO 0.8967
678 PRF 0.8967
679 MFU 0.8966
680 4YS 0.8966
681 CTL 0.8966
682 1NP 0.8965
683 ILE 0.8965
684 ES1 0.8965
685 51R 0.8965
686 MZB 0.8965
687 M1A 0.8964
688 XCZ 0.8964
689 9TY 0.8964
690 H4N 0.8960
691 MLT 0.8960
692 9KH 0.8960
693 0CU 0.8959
694 T9G 0.8959
695 FQI 0.8958
696 AX7 0.8957
697 5Q0 0.8957
698 SMV 0.8957
699 15L 0.8956
700 SR1 0.8955
701 KSW 0.8955
702 CXL 0.8954
703 5IQ 0.8953
704 680 0.8953
705 7NI 0.8952
706 VAL 0.8952
707 7N0 0.8951
708 1SQ 0.8951
709 KT7 0.8950
710 JBQ 0.8949
711 PLQ 0.8948
712 O72 0.8948
713 2D0 0.8946
714 MR1 0.8946
715 5XC 0.8946
716 293 0.8945
717 IT9 0.8942
718 4JM 0.8941
719 EXO 0.8941
720 ABV 0.8940
721 MB3 0.8940
722 J9T 0.8939
723 MS9 0.8937
724 TTL 0.8937
725 J9W 0.8937
726 8WT 0.8935
727 R8V 0.8935
728 8NY 0.8934
729 TCZ 0.8934
730 PCR 0.8932
731 V1L 0.8932
732 FDK 0.8930
733 A13 0.8930
734 FK1 0.8929
735 B0D 0.8929
736 CYH 0.8929
737 MAE 0.8928
738 B2J 0.8926
739 LDP 0.8925
740 MLA 0.8923
741 B62 0.8922
742 4FA 0.8921
743 F31 0.8921
744 YAN 0.8920
745 GLU 0.8919
746 PRZ 0.8919
747 FPN 0.8916
748 Q24 0.8916
749 FH2 0.8915
750 PXY 0.8915
751 CGB 0.8915
752 NPY 0.8914
753 MMZ 0.8914
754 SXS 0.8913
755 HA7 0.8910
756 ISE 0.8910
757 QUZ 0.8909
758 275 0.8908
759 FDB 0.8908
760 RBJ 0.8908
761 4JT 0.8908
762 OVP 0.8908
763 LG4 0.8906
764 5JQ 0.8905
765 PZM 0.8905
766 2MI 0.8904
767 HQE 0.8904
768 DA1 0.8904
769 JAE 0.8901
770 CTS 0.8901
771 FPK 0.8900
772 LKA 0.8899
773 IV2 0.8897
774 JTH 0.8896
775 IOM 0.8895
776 H42 0.8894
777 N8P 0.8893
778 42A 0.8891
779 AKG 0.8891
780 GLY PRO 0.8891
781 4JN 0.8890
782 GTR 0.8889
783 4XS 0.8889
784 25R 0.8887
785 F5B 0.8887
786 CP 0.8887
787 FLA 0.8886
788 VOH 0.8886
789 PFL 0.8885
790 76X 0.8885
791 3ID 0.8884
792 L89 0.8883
793 NDH 0.8883
794 KLW 0.8882
795 MLI 0.8882
796 7ZE 0.8882
797 PRO 0.8882
798 NVA 0.8881
799 THR 0.8881
800 GLL 0.8881
801 TTO 0.8878
802 24T 0.8877
803 HH8 0.8877
804 PCA 0.8877
805 8CL 0.8872
806 4NG 0.8872
807 FX1 0.8871
808 BTY 0.8870
809 DZX 0.8870
810 ADA 0.8870
811 MBN 0.8869
812 GXE 0.8868
813 0LH 0.8868
814 KBB 0.8868
815 FHN 0.8867
816 X05 0.8866
817 MRZ 0.8864
818 HVQ 0.8864
819 93B 0.8862
820 KFH 0.8862
821 42J 0.8862
822 1WG 0.8861
823 SFU 0.8861
824 GCV 0.8861
825 329 0.8861
826 NVI 0.8860
827 DHS 0.8858
828 2ZQ 0.8858
829 CFI 0.8857
830 9PY 0.8856
831 HCS 0.8855
832 IOL 0.8855
833 BRT 0.8853
834 B55 0.8852
835 69O 0.8851
836 COI 0.8851
837 I1N 0.8851
838 OXE 0.8849
839 A7W 0.8849
840 75K 0.8848
841 IFP 0.8848
842 EYK 0.8846
843 069 0.8845
844 K17 0.8844
845 2KT 0.8843
846 OMD 0.8843
847 PQ0 0.8843
848 CSS 0.8842
849 UYA 0.8842
850 ISN 0.8840
851 HYP 0.8840
852 268 0.8839
853 1DJ 0.8836
854 MWP 0.8836
855 WOT 0.8835
856 2BG 0.8835
857 SYV 0.8835
858 EHM 0.8832
859 TSS 0.8832
860 2PC 0.8832
861 PHT 0.8832
862 I2M 0.8830
863 4XH 0.8830
864 AEF 0.8830
865 KG7 0.8829
866 GOX 0.8829
867 JZ5 0.8826
868 P92 0.8825
869 HHN 0.8824
870 7D2 0.8822
871 SF9 0.8822
872 J1Z 0.8821
873 3AP 0.8821
874 ISD 0.8820
875 HSM 0.8820
876 GYP 0.8816
877 BVC 0.8816
878 4Z4 0.8815
879 5JL 0.8815
880 PIH 0.8815
881 FEH 0.8815
882 F12 0.8815
883 L60 0.8814
884 FCR 0.8814
885 LEU 0.8813
886 98J 0.8810
887 URP 0.8810
888 25T 0.8808
889 M1Q 0.8807
890 PMB 0.8807
891 2AP 0.8804
892 HVK 0.8804
893 FHB 0.8804
894 E60 0.8803
895 8EW 0.8803
896 4AP 0.8801
897 EMZ 0.8801
898 DTT 0.8801
899 FA1 0.8800
900 AZ8 0.8799
901 7A8 0.8799
902 DMD 0.8797
903 LFR 0.8797
904 MO8 0.8796
905 PE0 0.8795
906 HYN 0.8795
907 PQK 0.8794
908 3HM 0.8794
909 7W4 0.8793
910 NNO 0.8793
911 LER 0.8792
912 5GU 0.8792
913 COU 0.8791
914 MRW 0.8790
915 X09 0.8790
916 QBK 0.8789
917 3PY 0.8788
918 HSL 0.8788
919 F9P 0.8788
920 KTA 0.8787
921 CLW 0.8786
922 SER 0.8786
923 7MU 0.8785
924 KKN 0.8784
925 HRZ 0.8784
926 N7P 0.8784
927 32X 0.8781
928 FBW 0.8781
929 QY9 0.8781
930 8IG 0.8780
931 FBM 0.8780
932 SKA 0.8777
933 ICF 0.8776
934 4ME 0.8775
935 GTL 0.8775
936 DGY 0.8775
937 GT0 0.8774
938 IT2 0.8774
939 3SL 0.8774
940 AQO 0.8773
941 HQT 0.8772
942 DEE 0.8770
943 2CQ 0.8769
944 4A3 0.8769
945 SIN 0.8768
946 PAV 0.8768
947 WTZ 0.8767
948 DBX 0.8767
949 GXY 0.8767
950 AOS 0.8767
951 UY7 0.8765
952 45C 0.8764
953 HFB 0.8764
954 1DH 0.8763
955 ET2 0.8762
956 MEW 0.8761
957 DTL 0.8761
958 HGW 0.8761
959 258 0.8760
960 150 0.8760
961 3HP 0.8760
962 PAC 0.8760
963 BCF 0.8759
964 LGA 0.8759
965 34V 0.8759
966 MET 0.8759
967 M5K 0.8758
968 23B 0.8758
969 2MN 0.8757
970 DIN 0.8756
971 12Q 0.8756
972 AH8 0.8753
973 M6N 0.8753
974 5NI 0.8753
975 K3Q 0.8752
976 AMG 0.8752
977 JLZ 0.8752
978 CYS 0.8751
979 EKZ 0.8750
980 XAZ 0.8749
981 5WV 0.8748
982 7W1 0.8748
983 DHQ 0.8746
984 DXX 0.8745
985 F1A 0.8744
986 36R 0.8743
987 03V 0.8743
988 E7Z 0.8742
989 ODO 0.8742
990 PAE 0.8742
991 2FY 0.8741
992 RPQ 0.8741
993 BNT 0.8741
994 TSU 0.8741
995 MXN 0.8740
996 0FN 0.8740
997 VGD 0.8738
998 9PO 0.8736
999 HZQ 0.8735
1000 DRL 0.8735
1001 ES7 0.8735
1002 SOR 0.8735
1003 2TQ 0.8734
1004 SYA 0.8733
1005 M1H 0.8732
1006 MNN 0.8732
1007 0W8 0.8730
1008 5VM 0.8729
1009 HQ9 0.8728
1010 ORN 0.8728
1011 MJ2 0.8728
1012 AJ2 0.8727
1013 F4Z 0.8727
1014 PSV 0.8727
1015 2GS 0.8723
1016 AKB 0.8723
1017 X0V 0.8723
1018 TEO 0.8722
1019 2AQ 0.8722
1020 QPR 0.8721
1021 MA3 0.8721
1022 FBB 0.8719
1023 MT0 0.8718
1024 I1E 0.8716
1025 BBF 0.8716
1026 4FS 0.8712
1027 BE7 0.8712
1028 FB2 0.8709
1029 K2T 0.8709
1030 OEM 0.8708
1031 MZ0 0.8708
1032 M0W 0.8708
1033 92K 0.8706
1034 4AX 0.8705
1035 ES5 0.8704
1036 LNR 0.8704
1037 BCU 0.8702
1038 HDA 0.8702
1039 BNF 0.8701
1040 PRS 0.8700
1041 8XQ 0.8700
1042 JB5 0.8699
1043 JBN 0.8699
1044 TC7 0.8697
1045 OCH 0.8695
1046 IPM 0.8694
1047 1P7 0.8691
1048 FBU 0.8690
1049 8ZE 0.8689
1050 TP5 0.8688
1051 EA1 0.8687
1052 NXA 0.8686
1053 SAN 0.8686
1054 GZL 0.8682
1055 C21 0.8680
1056 5CL 0.8679
1057 XBT 0.8679
1058 PYQ 0.8675
1059 KDF 0.8675
1060 173 0.8674
1061 23J 0.8673
1062 HNQ 0.8672
1063 AIN 0.8670
1064 IBF 0.8667
1065 1DU 0.8666
1066 9X6 0.8666
1067 H7Y 0.8664
1068 289 0.8664
1069 OA3 0.8663
1070 EOL 0.8663
1071 12B 0.8662
1072 GLO 0.8659
1073 495 0.8659
1074 FOA 0.8659
1075 SKJ 0.8658
1076 P84 0.8656
1077 FA3 0.8653
1078 GG6 0.8652
1079 CWS 0.8651
1080 174 0.8651
1081 KUF 0.8649
1082 I4B 0.8648
1083 C5J 0.8646
1084 8CM 0.8645
1085 NID 0.8645
1086 JXN 0.8641
1087 4RW 0.8640
1088 192 0.8639
1089 MUC 0.8637
1090 2PG 0.8634
1091 H62 0.8632
1092 5QY 0.8628
1093 ABA 0.8628
1094 3R6 0.8627
1095 ZBT 0.8626
1096 DTI 0.8625
1097 57O 0.8624
1098 OTR 0.8623
1099 SF6 0.8623
1100 GLN 0.8622
1101 273 0.8620
1102 NQ 0.8618
1103 5B1 0.8618
1104 F9Y 0.8617
1105 QAS 0.8617
1106 BVG 0.8617
1107 PCI 0.8614
1108 GM7 0.8609
1109 SC2 0.8605
1110 3PG 0.8604
1111 DSN 0.8603
1112 RXA 0.8596
1113 449 0.8596
1114 QAT 0.8595
1115 8OZ 0.8593
1116 AAS 0.8591
1117 2EZ 0.8591
1118 SRO 0.8591
1119 DHR 0.8589
1120 264 0.8589
1121 826 0.8587
1122 NVU 0.8587
1123 3BU 0.8584
1124 HIU 0.8584
1125 GZ8 0.8580
1126 GJS 0.8580
1127 YQA 0.8579
1128 D07 0.8576
1129 03W 0.8575
1130 DQA 0.8573
1131 URS 0.8571
1132 DBB 0.8561
1133 54D 0.8556
1134 ENL 0.8555
1135 9RW 0.8553
1136 GV9 0.8549
1137 QM1 0.8535
1138 A3B 0.8531
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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