Receptor
PDB id Resolution Class Description Source Keywords
2HDU 1.49 Å EC: 3.5.2.6 AMPC BETA-LACTAMASE IN COMPLEX WITH 2-ACETAMIDOTHIOPHENE-3-C ACID ESCHERICHIA COLI K12 AMPC BETA-LACTAMASE FRAGMENT-BASED DRUG DESIGN HYDROLASE
Ref.: DECONSTRUCTING FRAGMENT-BASED INHIBITOR DISCOVERY NAT.CHEM.BIOL. V. 2 720 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F12 A:1004;
A:1009;
B:1001;
B:1002;
B:1003;
B:1005;
B:1006;
B:1008;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
 Ki = 5 mM
185.2 C7 H7 N O3 S CC(=O...
K B:2001;
 Invalid;
 none;
 submit data
39.098 K [K+]
PO4 B:2002;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PI5 1.49 Å EC: 3.5.2.6 STRUCTURE OF N289A MUTANT OF AMPC IN COMPLEX WITH SM2, CARBOXYPHENYLGLYCYLBORONIC ACID BEARING THE CEPHALOTHIN R1 S IDE CHAIN ESCHERICHIA COLI CRYSTAL STRUCTURE ENZYME INHIBITOR COMPLEX BETA-LACTAMASEHYDROLASE
Ref.: THERMODYNAMIC CYCLE ANALYSIS AND INHIBITOR DESIGN AGAINST BETA-LACTAMASE. BIOCHEMISTRY V. 42 14483 2003
Members (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 1L2S Ki = 26 uM STC C11 H8 Cl N O4 S2 c1cc(ccc1N....
2 4OLD - 2UZ C7 H10 N2 O4 S C1C=C(NC(S....
3 4JXW Ki = 19 uM 1MW C15 H15 N O6 S2 c1cc(ccc1C....
4 4KZ8 Ki = 1.6 mM 1U6 C8 H12 N2 O2 S CCN1C(=O)C....
5 2HDU Ki = 5 mM F12 C7 H7 N O3 S CC(=O)Nc1c....
6 1KVL - KCP C14 H16 N2 O5 S2 CC1=C(N[C@....
7 1PI5 Ki = 17 nM SM2 C14 H14 B N O5 S B([C@H](c1....
8 2R9W Ki = 8 uM 23C C22 H15 N O6 c1ccc2c(c1....
9 2PU2 Ki = 37 uM DK2 C18 H13 N O7 c1cc(ccc1C....
10 1XGJ Ki = 1 uM HTC C12 H9 N O7 S2 c1cc(c(cc1....
11 1PI4 Ki = 37 nM SM3 C13 H14 B N O3 S B([C@H](c1....
12 1XGI Ki = 14 uM NST C11 H8 N2 O6 S2 c1cc(cc(c1....
13 3GV9 Ki = 7.5 mM GV9 C7 H7 N O3 S CC(=O)Nc1c....
14 1O07 - MXG C24 H36 N6 O9 S C[C@@H](C(....
15 3GTC Ki = 4.5 mM GTC C9 H13 N3 O2 S C1CC[C@H](....
16 4KZ3 Ki = 1.7 mM 1U1 C5 H4 Cl N O4 S2 c1c(c(sc1C....
17 4KZ7 Ki = 3.2 mM 1U5 C10 H14 O4 C[C@]12CC[....
18 2HDR Ki = 19 mM 4A3 C7 H7 N O3 c1cc(c(cc1....
19 1LL9 - AXL C16 H21 N3 O5 S CC1([C@@H]....
20 4JXS Ki = 18 uM 18U C13 H11 N O6 S2 c1cc(ccc1C....
21 2R9X Ki = 14 uM WH6 C23 H17 N O6 c1ccc2c(c1....
22 4KZ4 Ki = 0.07 mM 4A1 C10 H13 N O4 S CCCS(=O)(=....
23 6T5Y ic50 = 7.6 uM C8V C13 H23 N5 O7 S C1C[C@H](C....
24 4KZB Ki = 1.3 mM NZ3 C10 H13 N O4 S C[C@H](C(=....
25 1L0G - GLC FRU n/a n/a
26 1MY8 Ki = 0.035 uM SM3 C13 H14 B N O3 S B([C@H](c1....
27 2HDS Ki = 10 mM 4MB C8 H9 N O4 S CS(=O)(=O)....
28 4OKP - 2V0 C8 H12 N2 O4 S CC1=C(N[C@....
29 3GRJ Ki = 1 mM G14 C10 H8 N2 O2 c1ccc(cc1)....
30 4KZ5 Ki < 10 mM 1U3 C13 H11 Cl N2 O4 Cc1c(c(no1....
31 3GVB Ki = 2.6 mM 3GV C11 H11 N O4 c1ccc(c(c1....
32 4KZ9 - 1U7 C15 H21 N O c1ccc(cc1)....
33 3GR2 Ki = 3 mM GF4 C7 H10 N6 O CCC1=C(NN(....
34 3GSG Ki = 2 mM GF1 C12 H15 N O4 C[C@@H](C(....
35 6TPM ic50 = 6.61 uM MK7 C12 H22 N4 O6 S C1C[C@H](N....
36 4JXV Ki = 31 uM 1MU C14 H13 N O6 S2 c1cc(ccc1C....
37 2HDQ Ki = 40 mM C21 C5 H4 O2 S c1cc(sc1)C....
38 4KZ6 Ki = 0.8 mM ZB6 C10 H17 N O3 S C[C@@H]1CC....
39 3GQZ Ki = 6.7 mM GF7 C13 H13 N O4 CC(=O)c1cc....
40 5JOC - CIT C6 H8 O7 C(C(=O)O)C....
41 4KZA Ki = 0.2 mM NZ9 C8 H9 N O4 S2 c1csc(c1S(....
70% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 1L2S Ki = 26 uM STC C11 H8 Cl N O4 S2 c1cc(ccc1N....
2 4OLD - 2UZ C7 H10 N2 O4 S C1C=C(NC(S....
3 4JXW Ki = 19 uM 1MW C15 H15 N O6 S2 c1cc(ccc1C....
4 4KZ8 Ki = 1.6 mM 1U6 C8 H12 N2 O2 S CCN1C(=O)C....
5 2HDU Ki = 5 mM F12 C7 H7 N O3 S CC(=O)Nc1c....
6 1KVL - KCP C14 H16 N2 O5 S2 CC1=C(N[C@....
7 1PI5 Ki = 17 nM SM2 C14 H14 B N O5 S B([C@H](c1....
8 2R9W Ki = 8 uM 23C C22 H15 N O6 c1ccc2c(c1....
9 2PU2 Ki = 37 uM DK2 C18 H13 N O7 c1cc(ccc1C....
10 1XGJ Ki = 1 uM HTC C12 H9 N O7 S2 c1cc(c(cc1....
11 1PI4 Ki = 37 nM SM3 C13 H14 B N O3 S B([C@H](c1....
12 1XGI Ki = 14 uM NST C11 H8 N2 O6 S2 c1cc(cc(c1....
13 3GV9 Ki = 7.5 mM GV9 C7 H7 N O3 S CC(=O)Nc1c....
14 1O07 - MXG C24 H36 N6 O9 S C[C@@H](C(....
15 3GTC Ki = 4.5 mM GTC C9 H13 N3 O2 S C1CC[C@H](....
16 4KZ3 Ki = 1.7 mM 1U1 C5 H4 Cl N O4 S2 c1c(c(sc1C....
17 4KZ7 Ki = 3.2 mM 1U5 C10 H14 O4 C[C@]12CC[....
18 2HDR Ki = 19 mM 4A3 C7 H7 N O3 c1cc(c(cc1....
19 1LL9 - AXL C16 H21 N3 O5 S CC1([C@@H]....
20 4JXS Ki = 18 uM 18U C13 H11 N O6 S2 c1cc(ccc1C....
21 2R9X Ki = 14 uM WH6 C23 H17 N O6 c1ccc2c(c1....
22 4KZ4 Ki = 0.07 mM 4A1 C10 H13 N O4 S CCCS(=O)(=....
23 6T5Y ic50 = 7.6 uM C8V C13 H23 N5 O7 S C1C[C@H](C....
24 4KZB Ki = 1.3 mM NZ3 C10 H13 N O4 S C[C@H](C(=....
25 1L0G - GLC FRU n/a n/a
26 1MY8 Ki = 0.035 uM SM3 C13 H14 B N O3 S B([C@H](c1....
27 2HDS Ki = 10 mM 4MB C8 H9 N O4 S CS(=O)(=O)....
28 4OKP - 2V0 C8 H12 N2 O4 S CC1=C(N[C@....
29 3GRJ Ki = 1 mM G14 C10 H8 N2 O2 c1ccc(cc1)....
30 4KZ5 Ki < 10 mM 1U3 C13 H11 Cl N2 O4 Cc1c(c(no1....
31 3GVB Ki = 2.6 mM 3GV C11 H11 N O4 c1ccc(c(c1....
32 4KZ9 - 1U7 C15 H21 N O c1ccc(cc1)....
33 3GR2 Ki = 3 mM GF4 C7 H10 N6 O CCC1=C(NN(....
34 3GSG Ki = 2 mM GF1 C12 H15 N O4 C[C@@H](C(....
35 6TPM ic50 = 6.61 uM MK7 C12 H22 N4 O6 S C1C[C@H](N....
36 4JXV Ki = 31 uM 1MU C14 H13 N O6 S2 c1cc(ccc1C....
37 2HDQ Ki = 40 mM C21 C5 H4 O2 S c1cc(sc1)C....
38 4KZ6 Ki = 0.8 mM ZB6 C10 H17 N O3 S C[C@@H]1CC....
39 3GQZ Ki = 6.7 mM GF7 C13 H13 N O4 CC(=O)c1cc....
40 5JOC - CIT C6 H8 O7 C(C(=O)O)C....
41 4KZA Ki = 0.2 mM NZ9 C8 H9 N O4 S2 c1csc(c1S(....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 1L2S Ki = 26 uM STC C11 H8 Cl N O4 S2 c1cc(ccc1N....
2 4OLD - 2UZ C7 H10 N2 O4 S C1C=C(NC(S....
3 4JXW Ki = 19 uM 1MW C15 H15 N O6 S2 c1cc(ccc1C....
4 4KZ8 Ki = 1.6 mM 1U6 C8 H12 N2 O2 S CCN1C(=O)C....
5 2HDU Ki = 5 mM F12 C7 H7 N O3 S CC(=O)Nc1c....
6 1KVL - KCP C14 H16 N2 O5 S2 CC1=C(N[C@....
7 1PI5 Ki = 17 nM SM2 C14 H14 B N O5 S B([C@H](c1....
8 2R9W Ki = 8 uM 23C C22 H15 N O6 c1ccc2c(c1....
9 2PU2 Ki = 37 uM DK2 C18 H13 N O7 c1cc(ccc1C....
10 1XGJ Ki = 1 uM HTC C12 H9 N O7 S2 c1cc(c(cc1....
11 1PI4 Ki = 37 nM SM3 C13 H14 B N O3 S B([C@H](c1....
12 1XGI Ki = 14 uM NST C11 H8 N2 O6 S2 c1cc(cc(c1....
13 3GV9 Ki = 7.5 mM GV9 C7 H7 N O3 S CC(=O)Nc1c....
14 1O07 - MXG C24 H36 N6 O9 S C[C@@H](C(....
15 3GTC Ki = 4.5 mM GTC C9 H13 N3 O2 S C1CC[C@H](....
16 4KZ3 Ki = 1.7 mM 1U1 C5 H4 Cl N O4 S2 c1c(c(sc1C....
17 4KZ7 Ki = 3.2 mM 1U5 C10 H14 O4 C[C@]12CC[....
18 2HDR Ki = 19 mM 4A3 C7 H7 N O3 c1cc(c(cc1....
19 1LL9 - AXL C16 H21 N3 O5 S CC1([C@@H]....
20 4JXS Ki = 18 uM 18U C13 H11 N O6 S2 c1cc(ccc1C....
21 2R9X Ki = 14 uM WH6 C23 H17 N O6 c1ccc2c(c1....
22 4KZ4 Ki = 0.07 mM 4A1 C10 H13 N O4 S CCCS(=O)(=....
23 6T5Y ic50 = 7.6 uM C8V C13 H23 N5 O7 S C1C[C@H](C....
24 4KZB Ki = 1.3 mM NZ3 C10 H13 N O4 S C[C@H](C(=....
25 1L0G - GLC FRU n/a n/a
26 1MY8 Ki = 0.035 uM SM3 C13 H14 B N O3 S B([C@H](c1....
27 2HDS Ki = 10 mM 4MB C8 H9 N O4 S CS(=O)(=O)....
28 4OKP - 2V0 C8 H12 N2 O4 S CC1=C(N[C@....
29 3GRJ Ki = 1 mM G14 C10 H8 N2 O2 c1ccc(cc1)....
30 4KZ5 Ki < 10 mM 1U3 C13 H11 Cl N2 O4 Cc1c(c(no1....
31 3GVB Ki = 2.6 mM 3GV C11 H11 N O4 c1ccc(c(c1....
32 4KZ9 - 1U7 C15 H21 N O c1ccc(cc1)....
33 3GR2 Ki = 3 mM GF4 C7 H10 N6 O CCC1=C(NN(....
34 3GSG Ki = 2 mM GF1 C12 H15 N O4 C[C@@H](C(....
35 6TPM ic50 = 6.61 uM MK7 C12 H22 N4 O6 S C1C[C@H](N....
36 4JXV Ki = 31 uM 1MU C14 H13 N O6 S2 c1cc(ccc1C....
37 2HDQ Ki = 40 mM C21 C5 H4 O2 S c1cc(sc1)C....
38 4KZ6 Ki = 0.8 mM ZB6 C10 H17 N O3 S C[C@@H]1CC....
39 3GQZ Ki = 6.7 mM GF7 C13 H13 N O4 CC(=O)c1cc....
40 5JOC - CIT C6 H8 O7 C(C(=O)O)C....
41 4KZA Ki = 0.2 mM NZ9 C8 H9 N O4 S2 c1csc(c1S(....
42 6PWM - GLY C2 H5 N O2 C(C(=O)O)N
43 6PWL - GLY C2 H5 N O2 C(C(=O)O)N
44 6KA5 - 1S7 C15 H16 N2 O5 S2 CO[C@@](C=....
45 5K1F Ki = 16.2 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
46 5K1D Ki = 20.8 uM 5GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F12; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 F12 1 1
2 GV9 0.413043 0.916667
Similar Ligands (3D)
Ligand no: 1; Ligand: F12; Similar ligands found: 1022
No: Ligand Similarity coefficient
1 ZZ8 0.9859
2 PDC 0.9641
3 DNF 0.9555
4 7NI 0.9555
5 AIN 0.9549
6 Q6T 0.9534
7 2LY 0.9533
8 4ME 0.9533
9 PRZ 0.9532
10 AKH 0.9531
11 HLD 0.9521
12 PHT 0.9518
13 0GZ 0.9510
14 7ZE 0.9507
15 8G0 0.9500
16 OW7 0.9499
17 2ZQ 0.9499
18 5WY 0.9498
19 RD4 0.9497
20 42C 0.9497
21 DNC 0.9493
22 NTM 0.9474
23 C2Y 0.9471
24 PD2 0.9465
25 OVM 0.9464
26 3MB 0.9458
27 92P 0.9453
28 QPR 0.9452
29 II6 0.9429
30 UNC 0.9426
31 HNQ 0.9422
32 FOT 0.9419
33 IJZ 0.9419
34 2MN 0.9418
35 NID 0.9411
36 9DG 0.9404
37 AZA 0.9394
38 ORO 0.9390
39 BGC 0.9385
40 6XI 0.9384
41 OXC 0.9382
42 CCB 0.9377
43 OW4 0.9372
44 GUN 0.9372
45 VXX 0.9371
46 G3F 0.9370
47 3IT 0.9370
48 XAN 0.9367
49 34D 0.9365
50 4MU 0.9360
51 C9E 0.9357
52 4HC 0.9356
53 141 0.9356
54 DOR 0.9353
55 Z5P 0.9350
56 4AA 0.9350
57 LSA 0.9347
58 INE 0.9346
59 AW5 0.9343
60 IGA 0.9343
61 AQO 0.9340
62 8XQ 0.9340
63 AJ2 0.9337
64 ICO 0.9335
65 15L 0.9334
66 7WR 0.9333
67 PE0 0.9333
68 AZ8 0.9331
69 GLC 0.9320
70 EA1 0.9319
71 FE DB1 0.9318
72 5RN 0.9317
73 RXA 0.9316
74 6CS 0.9316
75 MEW 0.9310
76 VNL 0.9310
77 J9W 0.9309
78 Q24 0.9297
79 PX7 0.9296
80 GDE 0.9293
81 URC 0.9292
82 M5K 0.9291
83 A2F 0.9290
84 APZ 0.9287
85 3F0 0.9286
86 NCD 0.9286
87 7I2 0.9285
88 3HA 0.9285
89 DBH 0.9285
90 JBK 0.9285
91 692 0.9285
92 NQ 0.9284
93 1XM 0.9284
94 3M0 0.9282
95 DBJ 0.9282
96 7VS 0.9282
97 KLW 0.9282
98 GTQ 0.9279
99 54G 0.9278
100 5RG 0.9278
101 6AP 0.9278
102 5M0 0.9277
103 BDP 0.9271
104 YH7 0.9271
105 VK3 0.9270
106 Q7A 0.9270
107 AZG 0.9268
108 53C 0.9267
109 55D 0.9266
110 OTD 0.9265
111 M2K 0.9265
112 D1X 0.9264
113 NOJ 0.9264
114 8S0 0.9262
115 7ME 0.9261
116 F31 0.9260
117 5MK 0.9259
118 M1Q 0.9259
119 C2U 0.9258
120 BOA 0.9256
121 4CS 0.9255
122 UAN 0.9253
123 3AB 0.9253
124 HLZ 0.9252
125 GAB 0.9252
126 9MG 0.9242
127 XQG 0.9241
128 LGC 0.9237
129 6DP 0.9237
130 JR2 0.9237
131 1AL 0.9234
132 FBG 0.9233
133 HHA 0.9230
134 M6N 0.9230
135 M1E 0.9230
136 TVP 0.9229
137 3HB 0.9229
138 4M4 0.9229
139 28N 0.9226
140 OVV 0.9225
141 SOR 0.9223
142 A7W 0.9222
143 DIN 0.9221
144 HJP 0.9220
145 0P6 0.9220
146 5HN 0.9218
147 GCS 0.9212
148 QBK 0.9211
149 EUG 0.9211
150 20J 0.9210
151 TWO 0.9208
152 IFL 0.9208
153 3NT 0.9207
154 FA0 0.9207
155 KUF 0.9206
156 CWS 0.9205
157 G2F 0.9201
158 SX1 0.9200
159 1X7 0.9200
160 M0Q 0.9199
161 8GC 0.9198
162 V55 0.9197
163 NOY 0.9197
164 KT7 0.9196
165 75K 0.9195
166 NFQ 0.9195
167 ASO 0.9194
168 MWP 0.9194
169 QAT 0.9194
170 F0J 0.9193
171 J9T 0.9191
172 SXS 0.9191
173 M1H 0.9191
174 6VD 0.9191
175 I3A 0.9189
176 2AL 0.9189
177 LDR 0.9187
178 EOL 0.9187
179 HQD 0.9186
180 12B 0.9186
181 9AP 0.9185
182 XAZ 0.9185
183 3R6 0.9181
184 M0W 0.9181
185 8CM 0.9180
186 LI6 0.9180
187 M4E 0.9180
188 9TZ 0.9179
189 AZ9 0.9179
190 DX4 0.9178
191 YQA 0.9177
192 WCE 0.9176
193 45L 0.9176
194 YSO 0.9174
195 N8Y 0.9172
196 6GU 0.9172
197 PXL 0.9170
198 CFP 0.9170
199 3BZ 0.9169
200 2D0 0.9168
201 IV2 0.9166
202 0HO 0.9164
203 TEP 0.9164
204 Q71 0.9164
205 BEA 0.9163
206 SRO 0.9163
207 B55 0.9162
208 290 0.9160
209 5OB 0.9158
210 GAL 0.9155
211 PEY 0.9154
212 6BL 0.9154
213 BK9 0.9149
214 5JQ 0.9149
215 B53 0.9146
216 KIB 0.9144
217 OVP 0.9143
218 TSR 0.9143
219 5WX 0.9143
220 0W8 0.9143
221 SAL 0.9142
222 SHA 0.9140
223 GM7 0.9140
224 0N7 0.9138
225 9KT 0.9138
226 EVA 0.9138
227 3MG 0.9138
228 8TX 0.9137
229 G5V 0.9137
230 1QP 0.9136
231 4NC 0.9136
232 SHG 0.9135
233 FGZ 0.9134
234 GLT 0.9134
235 1A7 0.9133
236 BTY 0.9133
237 K2P 0.9133
238 3Z8 0.9132
239 BE2 0.9131
240 25W 0.9131
241 MRW 0.9129
242 4M0 0.9128
243 X8D 0.9127
244 DRL 0.9127
245 TTL 0.9124
246 TIU 0.9122
247 226 0.9121
248 FLV 0.9121
249 MUA 0.9120
250 2D3 0.9120
251 BHA 0.9120
252 209 0.9118
253 5CU 0.9118
254 PZI 0.9118
255 FBU 0.9117
256 4HM 0.9117
257 BZ3 0.9117
258 FYU 0.9116
259 AY4 0.9114
260 JFJ 0.9114
261 0HN 0.9113
262 DPZ 0.9113
263 6R8 0.9113
264 4SV 0.9111
265 GCB 0.9110
266 JKZ 0.9110
267 7HQ 0.9110
268 0CU 0.9110
269 7FF 0.9109
270 DOB 0.9109
271 2ZM 0.9108
272 MO8 0.9105
273 ABI 0.9103
274 0F9 0.9103
275 5NU 0.9102
276 6NT 0.9102
277 GLY PRO 0.9102
278 4TU 0.9101
279 H33 0.9101
280 4YS 0.9101
281 2HO 0.9100
282 FHB 0.9099
283 15N 0.9098
284 A29 0.9097
285 RNS 0.9096
286 3NY 0.9095
287 BRT 0.9095
288 NLA 0.9095
289 QAS 0.9095
290 3HM 0.9091
291 Q88 0.9091
292 MB1 0.9090
293 DHK 0.9090
294 DHB 0.9089
295 93K 0.9087
296 4A3 0.9087
297 JLZ 0.9087
298 S76 0.9087
299 XX2 0.9086
300 UFO 0.9086
301 2FY 0.9085
302 12M 0.9085
303 KBG 0.9085
304 MS9 0.9085
305 IAC 0.9084
306 JAW 0.9083
307 XQK 0.9082
308 2HU 0.9081
309 4KL 0.9079
310 SKM 0.9079
311 AH8 0.9078
312 LZM 0.9078
313 EV0 0.9077
314 8GK 0.9077
315 GCW 0.9075
316 MHK 0.9072
317 2F6 0.9072
318 INO 0.9071
319 2A7 0.9071
320 5SG 0.9071
321 CWM 0.9071
322 XHP 0.9070
323 P3K 0.9070
324 GCU 0.9068
325 DQU 0.9067
326 1F1 0.9066
327 ES0 0.9066
328 5IQ 0.9066
329 RM1 0.9066
330 MYJ 0.9065
331 5JL 0.9064
332 OTW 0.9064
333 ES6 0.9064
334 KFH 0.9064
335 3A9 0.9063
336 5NI 0.9063
337 ICT 0.9063
338 8WT 0.9063
339 M5H 0.9063
340 5XC 0.9062
341 GZ8 0.9062
342 6NI 0.9058
343 CFF 0.9058
344 3DO 0.9056
345 44W 0.9055
346 HQY 0.9055
347 JKE 0.9055
348 BCP 0.9054
349 091 0.9054
350 KJH 0.9053
351 495 0.9053
352 B62 0.9052
353 2H5 0.9051
354 GZL 0.9051
355 NVU 0.9050
356 D07 0.9050
357 A13 0.9049
358 UEG 0.9048
359 R8V 0.9046
360 NDH 0.9045
361 3U4 0.9044
362 12Q 0.9043
363 TRA 0.9042
364 K3Q 0.9041
365 MJ2 0.9041
366 0LH 0.9040
367 8WO 0.9040
368 42A 0.9039
369 GTR 0.9038
370 O2A 0.9038
371 JDN 0.9037
372 329 0.9037
373 1P7 0.9036
374 7W1 0.9036
375 1SQ 0.9036
376 6LW 0.9036
377 M6Z 0.9034
378 JB8 0.9034
379 JPZ 0.9034
380 NNO 0.9033
381 1LQ 0.9033
382 HQT 0.9030
383 N5J 0.9030
384 4Z4 0.9028
385 MBG 0.9028
386 HA5 0.9028
387 AHR 0.9028
388 GIO 0.9028
389 JBE 0.9028
390 82I 0.9027
391 HQJ 0.9027
392 8IG 0.9026
393 4AV 0.9026
394 9TW 0.9025
395 0FK 0.9024
396 3ID 0.9024
397 E7Z 0.9023
398 5QX 0.9023
399 2FQ 0.9023
400 ODO 0.9023
401 R8S 0.9022
402 CHB 0.9022
403 MT0 0.9022
404 GYE 0.9022
405 GLA 0.9022
406 7MU 0.9019
407 24W 0.9018
408 QMS 0.9018
409 CTS 0.9018
410 ONR 0.9017
411 30G 0.9015
412 FDB 0.9015
413 HMU 0.9014
414 0JD 0.9013
415 44V 0.9013
416 1NP 0.9012
417 P9P 0.9012
418 AS3 0.9012
419 HIS 0.9012
420 K5W 0.9012
421 JBH 0.9011
422 61M 0.9011
423 2AK 0.9010
424 3FH 0.9010
425 JTH 0.9010
426 FP1 0.9009
427 SKA 0.9009
428 8HC 0.9008
429 293 0.9008
430 CH9 0.9008
431 GOX 0.9007
432 6ME 0.9006
433 52C 0.9005
434 L5V 0.9004
435 B57 0.9004
436 MAQ 0.9003
437 069 0.9001
438 7UC 0.9001
439 CKU 0.9000
440 PYQ 0.8999
441 BTE 0.8999
442 H7Y 0.8998
443 60Q 0.8998
444 QX4 0.8998
445 5Q0 0.8993
446 AM1 0.8992
447 ZYR 0.8992
448 463 0.8992
449 ES1 0.8991
450 XYL 0.8990
451 COU 0.8989
452 LYL 0.8989
453 MVN 0.8988
454 E35 0.8988
455 8VN 0.8988
456 HH8 0.8988
457 JND 0.8987
458 512 0.8987
459 KKN 0.8984
460 1P3 0.8983
461 HMH 0.8983
462 BPU 0.8982
463 3DM 0.8981
464 DBX 0.8980
465 TRC 0.8979
466 1LM 0.8979
467 ASC 0.8977
468 IOS 0.8976
469 FLC 0.8976
470 GJS 0.8975
471 TSS 0.8975
472 OMD 0.8975
473 J01 0.8975
474 VOH 0.8974
475 HH5 0.8974
476 DIU 0.8973
477 B60 0.8973
478 261 0.8973
479 OCH 0.8972
480 E1T 0.8971
481 DMD 0.8971
482 37T 0.8971
483 4ZC 0.8970
484 CIT 0.8970
485 TTY 0.8967
486 HA7 0.8967
487 IHB 0.8967
488 I6G 0.8965
489 HZQ 0.8964
490 23A 0.8963
491 BZX 0.8963
492 173 0.8962
493 KJY 0.8962
494 LT8 0.8961
495 1XN 0.8958
496 AX3 0.8958
497 0GY 0.8956
498 QM1 0.8954
499 3Z7 0.8952
500 5RO 0.8951
501 AJV 0.8950
502 KJU 0.8949
503 1Z8 0.8949
504 4XV 0.8948
505 MT5 0.8948
506 3AL 0.8947
507 R20 0.8947
508 67N 0.8945
509 SR4 0.8945
510 0FO 0.8944
511 3PF 0.8942
512 DIE 0.8941
513 X05 0.8941
514 4WK 0.8941
515 67X 0.8941
516 7B4 0.8941
517 IPZ 0.8941
518 O72 0.8940
519 4XH 0.8939
520 ZME 0.8937
521 N3W 0.8935
522 NGO 0.8934
523 97T 0.8934
524 ZZ3 0.8931
525 FH2 0.8930
526 SVD 0.8930
527 PFB 0.8930
528 ZZT 0.8929
529 9FE 0.8928
530 5B1 0.8928
531 CDV 0.8927
532 7WV 0.8926
533 FRU 0.8926
534 2AQ 0.8921
535 FUD 0.8921
536 H42 0.8921
537 NIG 0.8920
538 EYK 0.8919
539 TT4 0.8918
540 AOR 0.8916
541 SVN 0.8916
542 7B3 0.8915
543 FDK 0.8915
544 2FG 0.8914
545 MT8 0.8914
546 AJY 0.8913
547 M1A 0.8913
548 6TZ 0.8913
549 64C 0.8911
550 SE2 0.8911
551 23J 0.8911
552 DHQ 0.8911
553 03V 0.8909
554 GIV 0.8909
555 8WZ 0.8909
556 KBB 0.8908
557 OA3 0.8907
558 B5D 0.8907
559 5WV 0.8905
560 PXM 0.8904
561 LDP 0.8904
562 XYP 0.8903
563 JUG 0.8901
564 NTZ 0.8901
565 9FL 0.8900
566 6M4 0.8900
567 TOF 0.8899
568 4FS 0.8899
569 1WD 0.8899
570 G3E 0.8897
571 IFM 0.8897
572 ISN 0.8896
573 505 0.8896
574 J5I 0.8895
575 BMA 0.8895
576 5H1 0.8895
577 3OC 0.8895
578 ES5 0.8894
579 GCO 0.8894
580 14O 0.8894
581 J9Q 0.8892
582 ADZ 0.8892
583 V6F 0.8891
584 DEE 0.8890
585 0W1 0.8890
586 6OT 0.8889
587 1IT 0.8887
588 51R 0.8887
589 UFV 0.8887
590 LEL 0.8885
591 ES7 0.8884
592 PHH 0.8883
593 HPA 0.8881
594 JB5 0.8879
595 9KH 0.8879
596 ZWZ 0.8878
597 F60 0.8878
598 JZ3 0.8878
599 4A5 0.8877
600 LNR 0.8876
601 MAN 0.8876
602 2DR 0.8875
603 4XS 0.8873
604 ESI 0.8873
605 WOO 0.8873
606 CCV 0.8870
607 GLN 0.8870
608 ALL 0.8869
609 LKA 0.8869
610 8OZ 0.8868
611 M3Q 0.8868
612 7VJ 0.8868
613 F5B 0.8868
614 SOE 0.8867
615 G4D 0.8866
616 GRE 0.8864
617 NIZ 0.8862
618 7W4 0.8861
619 5F5 0.8860
620 M1Z 0.8860
621 D48 0.8860
622 39O 0.8859
623 06B 0.8858
624 NDM 0.8857
625 3WA 0.8857
626 XCZ 0.8856
627 JIF 0.8855
628 X0W 0.8853
629 G1O 0.8853
630 5QY 0.8853
631 DGJ 0.8852
632 B2J 0.8852
633 SWD 0.8852
634 ALA LEU 0.8851
635 LAO 0.8850
636 SYV 0.8850
637 149 0.8850
638 ADE 0.8850
639 F05 0.8850
640 HTP 0.8850
641 9CA 0.8848
642 8NX 0.8848
643 CN0 0.8847
644 EJZ 0.8847
645 L99 0.8846
646 680 0.8845
647 NMJ 0.8845
648 6AI 0.8845
649 QWN 0.8843
650 F81 0.8842
651 X6X 0.8842
652 GT0 0.8841
653 FBW 0.8840
654 KIA 0.8840
655 ADA 0.8840
656 5NS 0.8840
657 0XT 0.8840
658 CFA 0.8839
659 MR1 0.8839
660 CLZ 0.8838
661 ES2 0.8835
662 5MB 0.8835
663 32X 0.8834
664 TBS 0.8834
665 6M1 0.8834
666 KYA 0.8833
667 39A 0.8833
668 7CT 0.8833
669 2CG 0.8833
670 9DA 0.8833
671 KTA 0.8832
672 9HX 0.8832
673 LT2 0.8831
674 FB1 0.8831
675 2K4 0.8830
676 KTW 0.8829
677 SWA 0.8828
678 7HP 0.8828
679 86J 0.8827
680 6MP 0.8827
681 5NE 0.8827
682 10L 0.8826
683 MVL 0.8826
684 X09 0.8825
685 6M9 0.8825
686 PJW 0.8823
687 2EH 0.8822
688 4FH 0.8822
689 ISZ 0.8822
690 BZJ 0.8821
691 EGR 0.8821
692 2HC 0.8821
693 4JT 0.8820
694 PEZ 0.8820
695 5GU 0.8819
696 1DW 0.8819
697 DA4 0.8818
698 LZ2 0.8818
699 2SX 0.8818
700 DII 0.8817
701 BHO 0.8816
702 9UL 0.8815
703 OXZ 0.8815
704 SYR 0.8814
705 ET2 0.8813
706 1P8 0.8812
707 AKG 0.8810
708 5VJ 0.8809
709 CFI 0.8809
710 CSN 0.8807
711 QWW 0.8806
712 1GN 0.8806
713 KGK 0.8805
714 7MX 0.8804
715 1U1 0.8803
716 BP1 0.8803
717 PA1 0.8803
718 54X 0.8803
719 5MI 0.8803
720 ES9 0.8803
721 SR1 0.8802
722 K17 0.8801
723 N2I 0.8800
724 3MA 0.8800
725 ADK 0.8800
726 TQU 0.8800
727 6F0 0.8800
728 3SK 0.8800
729 94W 0.8799
730 SLS 0.8798
731 FBV 0.8797
732 DEW 0.8796
733 JBQ 0.8794
734 MZB 0.8794
735 CTL 0.8792
736 W81 0.8792
737 IBM 0.8791
738 FDR 0.8790
739 GXL 0.8790
740 OGA 0.8790
741 2HQ 0.8789
742 EWG 0.8788
743 3R9 0.8787
744 7WA 0.8786
745 8XL 0.8786
746 GIM 0.8786
747 8VE 0.8785
748 MNP 0.8784
749 CKX 0.8784
750 KOJ 0.8783
751 3C2 0.8783
752 VNJ 0.8782
753 IPB 0.8781
754 DRG 0.8780
755 GLU 0.8780
756 H4N 0.8780
757 VM1 0.8779
758 NK 0.8779
759 QX2 0.8778
760 X0V 0.8777
761 GAF 0.8777
762 T6C 0.8777
763 CKA 0.8775
764 K32 0.8775
765 APS 0.8775
766 ARP 0.8774
767 N7I 0.8774
768 QXW 0.8773
769 DFB 0.8773
770 5OF 0.8772
771 APG 0.8772
772 2BG 0.8771
773 9ZE 0.8771
774 K22 0.8771
775 OKM 0.8771
776 7MH 0.8769
777 CLW 0.8768
778 VGD 0.8768
779 878 0.8768
780 FHN 0.8767
781 DGL 0.8764
782 HPT 0.8764
783 2PG 0.8763
784 11S 0.8763
785 R9Y 0.8762
786 H5B 0.8761
787 EKZ 0.8760
788 DMJ 0.8760
789 ZB1 0.8758
790 AEZ 0.8757
791 JG8 0.8756
792 M5N 0.8756
793 TH7 0.8756
794 BPY 0.8755
795 PQ0 0.8755
796 P7Y 0.8755
797 3C1 0.8755
798 R9S 0.8755
799 3TJ 0.8755
800 FK1 0.8755
801 MYI 0.8755
802 ENL 0.8755
803 0RW 0.8754
804 DX3 0.8753
805 KP6 0.8753
806 K6X 0.8752
807 JAE 0.8750
808 39U 0.8750
809 FBM 0.8750
810 8ZE 0.8749
811 F69 0.8749
812 FBB 0.8748
813 EMZ 0.8746
814 3HP 0.8746
815 L7T 0.8746
816 6RQ 0.8745
817 1U6 0.8745
818 HX3 0.8744
819 LXC 0.8744
820 XQ0 0.8741
821 1X8 0.8740
822 36R 0.8740
823 IFP 0.8739
824 FIX 0.8738
825 BZE 0.8738
826 F9Y 0.8737
827 1KP 0.8735
828 GIF 0.8734
829 1XA 0.8734
830 5VL 0.8734
831 BEZ 0.8734
832 ONL 0.8733
833 L22 0.8733
834 JP2 0.8731
835 RPQ 0.8731
836 GVG 0.8731
837 XXP 0.8730
838 Q02 0.8730
839 SF9 0.8728
840 XFE 0.8728
841 K2T 0.8727
842 NCT 0.8726
843 PM6 0.8725
844 ROI 0.8725
845 XEN 0.8724
846 0R0 0.8723
847 3XX 0.8720
848 YIO 0.8717
849 MAJ 0.8716
850 GOG 0.8716
851 TLA 0.8713
852 FA3 0.8713
853 6KT 0.8713
854 9EW 0.8712
855 SLC 0.8712
856 60P 0.8712
857 P4B 0.8712
858 ES4 0.8712
859 2ZV 0.8711
860 ORN 0.8709
861 8H8 0.8709
862 H6B 0.8708
863 NLG 0.8708
864 4V2 0.8705
865 PHU 0.8705
866 4AN 0.8704
867 MOK 0.8703
868 GTZ 0.8703
869 HLR 0.8702
870 DHR 0.8696
871 6J9 0.8695
872 4WL 0.8695
873 1FF 0.8695
874 RMN 0.8693
875 NAG 0.8692
876 286 0.8692
877 DCO 0.8691
878 HCA 0.8691
879 STT 0.8691
880 KDO 0.8688
881 MSN 0.8688
882 2O6 0.8686
883 TAG 0.8686
884 PRF 0.8686
885 HHT 0.8685
886 BR8 0.8684
887 YTX 0.8682
888 FBT 0.8682
889 8W9 0.8681
890 2EC 0.8680
891 K3Y 0.8679
892 QBS 0.8679
893 FXH 0.8678
894 KYD 0.8678
895 PFL 0.8677
896 4SX 0.8676
897 M44 0.8674
898 EQT 0.8674
899 OHP 0.8671
900 TNF 0.8670
901 2KA 0.8669
902 8NY 0.8668
903 BEN 0.8667
904 47J 0.8666
905 NBG 0.8666
906 1M2 0.8664
907 TYL 0.8664
908 15E 0.8663
909 G12 0.8662
910 GHM 0.8662
911 NCA 0.8661
912 1HN 0.8659
913 N8P 0.8658
914 PHB 0.8658
915 F2W 0.8657
916 57O 0.8657
917 MZM 0.8655
918 BZ2 0.8654
919 ABV 0.8654
920 AGK 0.8654
921 HXX 0.8654
922 DNA 0.8654
923 4JQ 0.8652
924 TPA 0.8652
925 4XR 0.8649
926 RIB 0.8648
927 5VM 0.8647
928 W8G 0.8647
929 NPA 0.8647
930 3Y7 0.8647
931 NPO 0.8645
932 4ZA 0.8643
933 5XB 0.8643
934 VYM 0.8642
935 JXN 0.8642
936 HC4 0.8642
937 NQM 0.8640
938 ESX 0.8638
939 JXW 0.8638
940 KDV 0.8635
941 3PG 0.8634
942 BAM 0.8633
943 IF7 0.8629
944 PQK 0.8628
945 BSP 0.8626
946 FPK 0.8625
947 ZON 0.8624
948 GAG 0.8624
949 PAB 0.8623
950 GLO 0.8621
951 SMN 0.8620
952 4P5 0.8620
953 XIY 0.8620
954 TFU 0.8619
955 P72 0.8617
956 JA8 0.8613
957 152 0.8612
958 PBC 0.8612
959 C4L 0.8611
960 MPV 0.8611
961 4VS 0.8610
962 FA6 0.8610
963 9RW 0.8610
964 2HG 0.8609
965 F9P 0.8608
966 GF4 0.8606
967 K8X 0.8605
968 HBD 0.8603
969 QUZ 0.8602
970 SF6 0.8600
971 13X 0.8600
972 7A3 0.8598
973 PBZ 0.8597
974 MQN 0.8596
975 4MA 0.8596
976 UNU 0.8596
977 49O 0.8595
978 NPY 0.8595
979 EXD 0.8594
980 FAN 0.8593
981 NIO 0.8593
982 MCO 0.8590
983 PH2 0.8590
984 HHR 0.8590
985 O2Y 0.8589
986 AC0 0.8588
987 NDG 0.8585
988 AZF 0.8583
989 0FN 0.8581
990 826 0.8580
991 TIY 0.8578
992 AX7 0.8578
993 270 0.8578
994 EN1 0.8578
995 GBD 0.8575
996 582 0.8574
997 AA 0.8572
998 I7A 0.8572
999 CIY 0.8569
1000 DQN 0.8569
1001 LT3 0.8567
1002 0TU 0.8566
1003 GXY 0.8566
1004 XXG 0.8566
1005 1Y6 0.8565
1006 PIM 0.8562
1007 4YO 0.8561
1008 ZVO 0.8560
1009 IPM 0.8558
1010 REL 0.8557
1011 7D2 0.8557
1012 2CQ 0.8553
1013 M2H 0.8544
1014 4NO 0.8544
1015 2ZX 0.8543
1016 ANF 0.8541
1017 HKD 0.8540
1018 BNT 0.8539
1019 ESP 0.8537
1020 8EW 0.8532
1021 TXW 0.8523
1022 174 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PI5; Ligand: SM2; 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: 1pi5.bio2) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1PI5; Ligand: SM2; 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: 1pi5.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1PI5; Ligand: SM2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1pi5.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
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