Receptor
PDB id Resolution Class Description Source Keywords
6CCS 2.06 Å EC: 2.7.7.3 CRYSTAL STRUCTURE OF E.COLI PHOSPHOPANTETHEINE ADENYLYLTRANS (PPAT/COAD) IN COMPLEX WITH 2-(TRIFLUOROMETHYL)-1H-BENZO[D]4 -OL ESCHERICHIA COLI (STRAIN K12) PPAT COAD FBDD PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE GRAM-NANTIBACTERIAL ANTIBIOTIC TRANSFERASE TRANSFERASE-ANTIBIOTCOMPLEX
Ref.: FRAGMENT-BASED DRUG DISCOVERY OF INHIBITORS OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE FROM GRAM-NE BACTERIA. J. MED. CHEM. V. 61 3309 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:203;
A:204;
B:203;
B:202;
A:202;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
EXD B:201;
A:201;
 Valid;
Valid;
 none;
none;
 ic50 = 230 uM
202.133 C8 H5 F3 N2 O c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CHP 1.94 Å EC: 2.7.7.3 PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (COAD) IN COMPLEX WIT (R)-4-(3-(2-CYANO-1-((5-METHYL-1H-IMIDAZO[4,5-B]PYRIDIN-2-YE THYL)BENZYL)PIPERIDINE-1-CARBOXYLATE ESCHERICHIA COLI (STRAIN K12) DEPHOSPHO-COA PYROPHOSPHORYLASE PANTETHEINE-PHOSPHATE ADENYLYLTRANSFERASE PPAT CAAD FBDD GRAM-NEGATI PANTETHEINEPHOSPHATE ADENYLYLTRANSFERASEVE ANTIBACTERIAL ANTIBIOTIC TRANSFERASE TRANSFERASE-ANTIBIOTIC COMPLEX TRANSFERASE-ANTCOMPLEX
Ref.: DISCOVERY AND OPTIMIZATION OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE INHIBITORS WITH GRAM-NEGATIVE ANTIBACTERIAL ACTIVITY. J. MED. CHEM. V. 61 3325 2018
Members (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 30 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D Kd = 52 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E Kd = 28 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
70% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 30 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D Kd = 52 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E Kd = 28 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
24 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
25 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
26 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
27 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
29 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
30 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 30 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D Kd = 52 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E Kd = 28 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
24 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
25 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 3PNB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
28 3NBK - PNS C11 H23 N2 O7 P S CC(C)(COP(....
29 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
30 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
31 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
32 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
33 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
34 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
35 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
36 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
37 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
38 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
39 1O6B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
41 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
42 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
43 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
45 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
46 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
47 1VLH - PNS C11 H23 N2 O7 P S CC(C)(COP(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EXD; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 EXD 1 1
2 CWM 0.511111 0.833333
3 ES0 0.5 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: EXD; Similar ligands found: 985
No: Ligand Similarity coefficient
1 36E 0.9762
2 2O6 0.9630
3 BZ2 0.9618
4 ICB 0.9614
5 ESI 0.9596
6 KTW 0.9552
7 EVF 0.9546
8 6FZ 0.9528
9 SG2 0.9513
10 4FH 0.9500
11 8NX 0.9491
12 IOS 0.9468
13 HA5 0.9464
14 MAJ 0.9463
15 X0V 0.9463
16 SKF 0.9440
17 IAC 0.9433
18 ESP 0.9424
19 ESX 0.9417
20 15N 0.9406
21 0JD 0.9403
22 EKZ 0.9401
23 6DP 0.9399
24 428 0.9396
25 UFV 0.9389
26 0W1 0.9387
27 N2M 0.9380
28 6TZ 0.9350
29 IFP 0.9347
30 0HN 0.9346
31 6NT 0.9340
32 4SX 0.9336
33 HQJ 0.9334
34 JND 0.9333
35 JG8 0.9327
36 0FK 0.9325
37 E1T 0.9322
38 BZE 0.9322
39 5NI 0.9319
40 9ZE 0.9318
41 S0E 0.9314
42 8WT 0.9313
43 6QF 0.9312
44 UNJ 0.9306
45 2ZM 0.9304
46 9FE 0.9303
47 1F1 0.9303
48 3A9 0.9302
49 GO8 0.9302
50 FF2 0.9302
51 K97 0.9301
52 R20 0.9298
53 AY4 0.9284
54 344 0.9281
55 VXX 0.9280
56 N3W 0.9279
57 0HO 0.9276
58 TZM 0.9276
59 4WL 0.9274
60 DNF 0.9274
61 AX3 0.9273
62 3NY 0.9273
63 J9Q 0.9269
64 4BY 0.9261
65 DHB 0.9261
66 GZ2 0.9259
67 L5V 0.9256
68 CH9 0.9254
69 JLZ 0.9253
70 R9Y 0.9253
71 TWO 0.9253
72 8WO 0.9246
73 GO2 0.9245
74 ANC 0.9244
75 PIM 0.9240
76 4ZA 0.9237
77 2HC 0.9236
78 MSR 0.9236
79 4XS 0.9234
80 8W9 0.9233
81 68A 0.9233
82 AN3 0.9233
83 5GT 0.9232
84 2HU 0.9232
85 27B 0.9231
86 4P5 0.9230
87 0F9 0.9229
88 KYA 0.9229
89 JAW 0.9227
90 4BL 0.9226
91 6NI 0.9225
92 GVG 0.9225
93 INO 0.9223
94 8ZE 0.9222
95 8HC 0.9221
96 ZEC 0.9219
97 3AE 0.9219
98 97T 0.9217
99 12T 0.9214
100 VNL 0.9210
101 QMS 0.9206
102 XIY 0.9205
103 GJP 0.9204
104 ZYR 0.9201
105 M1Z 0.9200
106 9FL 0.9199
107 HJH 0.9198
108 JTH 0.9197
109 GNM 0.9197
110 3ZB 0.9197
111 ABI 0.9194
112 S2P 0.9189
113 APS 0.9189
114 V1T 0.9186
115 BPY 0.9185
116 NNO 0.9183
117 7I2 0.9181
118 XXG 0.9177
119 N1E 0.9177
120 F4E 0.9177
121 FHB 0.9176
122 N8Y 0.9174
123 P9E 0.9170
124 L22 0.9169
125 PPY 0.9169
126 4RU 0.9168
127 IL5 0.9167
128 9CA 0.9164
129 TCA 0.9163
130 LR5 0.9159
131 CHB 0.9159
132 SNU 0.9157
133 HHS 0.9155
134 52C 0.9153
135 LNR 0.9150
136 KYN 0.9149
137 8XL 0.9149
138 S7J 0.9147
139 4A3 0.9145
140 GDE 0.9144
141 BZJ 0.9142
142 1IT 0.9141
143 STT 0.9141
144 2K8 0.9140
145 1M2 0.9140
146 DX3 0.9139
147 X48 0.9137
148 JP2 0.9137
149 P9P 0.9136
150 PIY 0.9135
151 7WR 0.9135
152 EGR 0.9134
153 93K 0.9134
154 IHB 0.9134
155 XCG 0.9133
156 8U3 0.9132
157 ARP 0.9131
158 2HO 0.9131
159 S7A 0.9130
160 3HM 0.9130
161 ROI 0.9130
162 3Y7 0.9129
163 ONR 0.9128
164 4NC 0.9128
165 L99 0.9124
166 P7Y 0.9124
167 M5H 0.9122
168 1HN 0.9122
169 61M 0.9122
170 DHK 0.9122
171 FBF 0.9121
172 TZF 0.9120
173 EUE 0.9119
174 BQ2 0.9117
175 TSR 0.9117
176 DHY 0.9115
177 JDN 0.9114
178 TMG 0.9113
179 BGU 0.9113
180 JB8 0.9113
181 IPD 0.9111
182 4NZ 0.9110
183 XDK 0.9110
184 JF2 0.9108
185 BEA 0.9107
186 N2I 0.9107
187 5TY 0.9106
188 X0U 0.9105
189 MXD 0.9103
190 9TW 0.9101
191 IOP 0.9100
192 GF4 0.9097
193 MYJ 0.9096
194 NPA 0.9096
195 PH2 0.9095
196 CPZ 0.9095
197 363 0.9095
198 M3E 0.9094
199 F31 0.9092
200 R2P 0.9092
201 4LW 0.9091
202 1L5 0.9091
203 QMR 0.9090
204 J6W 0.9090
205 MP5 0.9089
206 EYV 0.9088
207 MPV 0.9086
208 SKM 0.9086
209 2BG 0.9086
210 4XV 0.9084
211 9BF 0.9083
212 1Z6 0.9083
213 KTJ 0.9081
214 BP7 0.9080
215 UFO 0.9079
216 5RO 0.9078
217 QSB 0.9077
218 6KT 0.9077
219 HX4 0.9076
220 ZME 0.9074
221 TSU 0.9074
222 SLS 0.9073
223 5LA 0.9072
224 NBG 0.9071
225 S60 0.9068
226 3PF 0.9068
227 E7S 0.9067
228 F2W 0.9065
229 SQ4 0.9062
230 YO5 0.9059
231 SNO 0.9055
232 PO6 0.9052
233 0BP 0.9051
234 GHM 0.9051
235 A5P 0.9048
236 PJW 0.9048
237 BIO 0.9047
238 PLP 0.9047
239 LIP 0.9045
240 I4D 0.9045
241 AMS 0.9044
242 E35 0.9043
243 1A7 0.9043
244 KGK 0.9043
245 4V2 0.9042
246 XQI 0.9039
247 XX2 0.9039
248 NAG 0.9039
249 FDR 0.9037
250 KTA 0.9033
251 D6G 0.9032
252 QSH 0.9031
253 39O 0.9030
254 BNL 0.9030
255 DTR 0.9029
256 JF1 0.9025
257 N2Z 0.9025
258 BDP 0.9025
259 5QY 0.9021
260 XIZ 0.9021
261 IWT 0.9021
262 TT4 0.9021
263 2CZ 0.9021
264 ALE 0.9019
265 YTX 0.9019
266 B4O 0.9014
267 4JQ 0.9012
268 M6D 0.9008
269 ABF 0.9007
270 505 0.9004
271 FK8 0.9003
272 PRZ 0.8997
273 DQA 0.8995
274 URC 0.8995
275 RAT 0.8994
276 GWM 0.8994
277 H4E 0.8993
278 3VX 0.8992
279 7VP 0.8992
280 9UL 0.8990
281 4XF 0.8990
282 92P 0.8989
283 L7T 0.8989
284 DHC 0.8989
285 30G 0.8986
286 1X4 0.8985
287 6J9 0.8984
288 KUF 0.8983
289 H5B 0.8982
290 D48 0.8982
291 RNO 0.8981
292 A29 0.8981
293 6RQ 0.8981
294 6Q3 0.8981
295 HSX 0.8981
296 HPS 0.8978
297 3J8 0.8977
298 E5X 0.8977
299 A7W 0.8976
300 36Y 0.8976
301 G6P 0.8975
302 MPK 0.8973
303 JR2 0.8973
304 1XA 0.8972
305 4AB 0.8971
306 C1M 0.8970
307 TRP 0.8970
308 4NB 0.8970
309 QMP 0.8969
310 2FQ 0.8969
311 L14 0.8968
312 M3Q 0.8968
313 E7Z 0.8967
314 GRX 0.8967
315 AEH 0.8967
316 HBO 0.8967
317 4KL 0.8967
318 BNX 0.8966
319 EOL 0.8965
320 JRB 0.8965
321 HHR 0.8964
322 FGZ 0.8963
323 M3H 0.8963
324 BG6 0.8963
325 DIN 0.8962
326 AMQ 0.8961
327 HNK 0.8961
328 HNL 0.8961
329 4JC 0.8961
330 SRO 0.8960
331 ZYV 0.8960
332 FA1 0.8958
333 4AA 0.8957
334 B85 0.8957
335 HKD 0.8956
336 SHI 0.8956
337 KW8 0.8956
338 M4S 0.8955
339 H2B 0.8955
340 HBI 0.8955
341 3C4 0.8954
342 FBS 0.8951
343 G3E 0.8951
344 7MX 0.8950
345 M6P 0.8950
346 J5I 0.8950
347 DQU 0.8950
348 SYV 0.8949
349 C2Y 0.8949
350 KMY 0.8948
351 DNA 0.8948
352 1QV 0.8947
353 MMS 0.8946
354 LSQ 0.8946
355 4J8 0.8944
356 RUY 0.8944
357 BHQ 0.8944
358 AM4 0.8944
359 NCT 0.8943
360 A5E 0.8943
361 NLA 0.8942
362 4R1 0.8941
363 CXH 0.8939
364 5XC 0.8937
365 54X 0.8935
366 N91 0.8935
367 GCO 0.8933
368 DAH 0.8931
369 PHE 0.8931
370 PEY 0.8931
371 SQ7 0.8930
372 LZ2 0.8929
373 N0Z 0.8929
374 V55 0.8927
375 FA3 0.8926
376 EN1 0.8926
377 LQ2 0.8925
378 N7I 0.8925
379 HFA 0.8925
380 H4B 0.8925
381 2FX 0.8923
382 7AP 0.8923
383 QX4 0.8923
384 CXP 0.8922
385 9R5 0.8922
386 1VK 0.8922
387 GTR 0.8921
388 8TX 0.8920
389 5NS 0.8919
390 AOT 0.8919
391 C9E 0.8919
392 9GP 0.8919
393 AA 0.8919
394 ANF 0.8919
395 DPN 0.8918
396 RKV 0.8917
397 3R4 0.8917
398 HDL 0.8917
399 HCI 0.8917
400 CFA 0.8917
401 MR1 0.8916
402 E4P 0.8916
403 MJ2 0.8915
404 78P 0.8915
405 BZ3 0.8914
406 15L 0.8914
407 YOF 0.8914
408 TYL 0.8913
409 BVA 0.8913
410 SAN 0.8912
411 XFE 0.8911
412 LL1 0.8910
413 7ME 0.8909
414 4ME 0.8907
415 Z5P 0.8906
416 LAO 0.8905
417 CWS 0.8905
418 KDV 0.8905
419 8NB 0.8905
420 X11 0.8904
421 SE2 0.8904
422 DDU 0.8900
423 OSB 0.8900
424 PMP 0.8899
425 1BN 0.8899
426 TU0 0.8899
427 5VL 0.8898
428 Q02 0.8897
429 RP3 0.8897
430 LDP 0.8896
431 XHP 0.8895
432 A13 0.8893
433 AZ9 0.8892
434 6FB 0.8892
435 5OB 0.8892
436 2LY 0.8891
437 4CM 0.8891
438 K25 0.8889
439 DNC 0.8889
440 CN0 0.8889
441 I59 0.8889
442 ICO 0.8887
443 0N7 0.8885
444 152 0.8885
445 RP5 0.8885
446 15E 0.8885
447 GLC 0.8883
448 OMD 0.8883
449 OTW 0.8883
450 NFA 0.8882
451 PD2 0.8881
452 B62 0.8880
453 AJY 0.8877
454 GCU 0.8876
455 A9P 0.8876
456 7ZL 0.8875
457 YZM 0.8875
458 Q88 0.8874
459 M45 0.8873
460 6ME 0.8873
461 P80 0.8873
462 CTE 0.8870
463 ZIQ 0.8870
464 CC5 0.8870
465 ITE 0.8869
466 M2K 0.8869
467 TIH 0.8867
468 DI6 0.8866
469 PXP 0.8865
470 44V 0.8865
471 GDL 0.8864
472 BGP 0.8863
473 GLP 0.8863
474 3R6 0.8862
475 KT7 0.8862
476 MRW 0.8860
477 92K 0.8859
478 PLP PMP 0.8859
479 717 0.8858
480 209 0.8858
481 2LT 0.8857
482 M4E 0.8857
483 DEE 0.8856
484 MQN 0.8855
485 3TC 0.8855
486 4I8 0.8854
487 692 0.8853
488 HHI 0.8853
489 HIS 0.8853
490 X0W 0.8853
491 XDE 0.8853
492 3QV 0.8852
493 BPU 0.8852
494 DHS 0.8852
495 4MU 0.8852
496 SYA 0.8852
497 EMZ 0.8851
498 6HP 0.8850
499 VOH 0.8849
500 XAZ 0.8849
501 QIV 0.8849
502 0XT 0.8848
503 FBU 0.8847
504 APZ 0.8847
505 2F6 0.8846
506 B55 0.8845
507 HQD 0.8845
508 ANN 0.8845
509 268 0.8844
510 WS7 0.8843
511 FCR 0.8843
512 5OF 0.8843
513 463 0.8843
514 6R8 0.8843
515 DC5 0.8842
516 THA 0.8841
517 DEZ 0.8840
518 75K 0.8840
519 CR1 0.8839
520 M78 0.8839
521 MB1 0.8838
522 KJ5 0.8838
523 4BZ 0.8836
524 F4K 0.8834
525 F69 0.8832
526 ZYQ 0.8831
527 92G 0.8831
528 657 0.8830
529 57O 0.8830
530 NDG 0.8830
531 AZM 0.8830
532 KBZ 0.8829
533 JF6 0.8828
534 0P6 0.8827
535 6J5 0.8827
536 QIC 0.8827
537 MVN 0.8826
538 CLU 0.8826
539 4LV 0.8826
540 44W 0.8825
541 G1P 0.8824
542 K3Q 0.8824
543 DPT 0.8823
544 X04 0.8822
545 F0J 0.8822
546 5RN 0.8820
547 HDH 0.8820
548 AKG 0.8820
549 AMH 0.8819
550 977 0.8819
551 DRG 0.8818
552 2JK 0.8817
553 OGA 0.8817
554 4NO 0.8816
555 EUG 0.8815
556 EVA 0.8815
557 BGC 0.8814
558 J9T 0.8814
559 QBS 0.8814
560 FHC 0.8811
561 ZZZ 0.8810
562 ADA 0.8810
563 4A5 0.8809
564 TSS 0.8808
565 AAS 0.8806
566 BOQ 0.8806
567 H7Y 0.8806
568 2D3 0.8806
569 1WC 0.8806
570 86J 0.8805
571 KF5 0.8805
572 J9N 0.8804
573 3PG 0.8804
574 03V 0.8803
575 CCV 0.8803
576 23J 0.8803
577 SYR 0.8802
578 CSN 0.8802
579 549 0.8801
580 2HQ 0.8801
581 AJV 0.8801
582 KOJ 0.8801
583 O2A 0.8800
584 BTY 0.8800
585 F9Y 0.8800
586 SVD 0.8799
587 ALX 0.8799
588 HPT 0.8799
589 8CM 0.8799
590 94W 0.8798
591 JB5 0.8798
592 MUK 0.8797
593 GAL 0.8795
594 MOK 0.8795
595 IV2 0.8795
596 SWA 0.8794
597 ZXD 0.8794
598 4Z4 0.8794
599 535 0.8794
600 BNF 0.8794
601 2AL 0.8792
602 Y3L 0.8791
603 ODO 0.8791
604 BIK 0.8790
605 LT2 0.8790
606 S2G 0.8789
607 0FO 0.8788
608 PZI 0.8787
609 4HM 0.8787
610 3W8 0.8787
611 2D0 0.8781
612 JBZ 0.8780
613 JYB 0.8779
614 W29 0.8779
615 1KP 0.8778
616 3Z8 0.8778
617 PNZ 0.8776
618 ES5 0.8775
619 PDC 0.8775
620 TGX 0.8773
621 HG3 0.8773
622 GI3 0.8772
623 COU 0.8772
624 PFF 0.8771
625 HC4 0.8771
626 PH3 0.8770
627 LDR 0.8770
628 FBB 0.8770
629 2A9 0.8770
630 TLM 0.8769
631 4FS 0.8768
632 K5W 0.8768
633 ES2 0.8767
634 DK1 0.8767
635 6OT 0.8766
636 0TU 0.8766
637 PHU 0.8766
638 A9O 0.8765
639 CLZ 0.8765
640 DTY 0.8765
641 TYR 0.8765
642 2HG 0.8763
643 UAN 0.8762
644 BPN 0.8762
645 I3A 0.8761
646 BRH 0.8760
647 9AP 0.8760
648 GVY 0.8759
649 D3G 0.8758
650 DMD 0.8758
651 4YO 0.8756
652 173 0.8756
653 S3C 0.8755
654 SEP 0.8755
655 ZSP 0.8755
656 GCB 0.8754
657 OCH 0.8753
658 5JQ 0.8753
659 FQX 0.8753
660 5OO 0.8753
661 S0G 0.8752
662 DCZ 0.8751
663 TA6 0.8751
664 HL4 0.8751
665 5AD 0.8751
666 AMR 0.8750
667 069 0.8749
668 1X8 0.8749
669 GZL 0.8748
670 2GQ 0.8748
671 HQT 0.8748
672 4M4 0.8747
673 2AQ 0.8747
674 LJ3 0.8747
675 ZHA 0.8747
676 EWG 0.8746
677 7MU 0.8746
678 HIC 0.8746
679 9PY 0.8746
680 FTV 0.8746
681 0NX 0.8746
682 K7M 0.8745
683 2EC 0.8744
684 258 0.8744
685 TB8 0.8743
686 6VD 0.8742
687 PTS 0.8740
688 TTY 0.8739
689 ET2 0.8739
690 ST3 0.8739
691 P81 0.8739
692 FER 0.8738
693 0J4 0.8738
694 EA1 0.8737
695 2QC 0.8736
696 MUA 0.8735
697 HRM 0.8735
698 5XB 0.8734
699 45L 0.8733
700 8G0 0.8733
701 C82 0.8733
702 ASC 0.8733
703 2KU 0.8732
704 K44 0.8732
705 KJU 0.8731
706 H42 0.8730
707 WOE 0.8730
708 51R 0.8730
709 K2T 0.8730
710 OA3 0.8729
711 GL1 0.8729
712 3HP 0.8728
713 FZM 0.8727
714 WUB 0.8727
715 AX7 0.8727
716 YIE 0.8727
717 795 0.8727
718 12Q 0.8726
719 A6P 0.8725
720 8GK 0.8723
721 TTL 0.8723
722 0FR 0.8722
723 NVU 0.8722
724 N9J 0.8721
725 Q71 0.8720
726 3ID 0.8719
727 3DT 0.8719
728 LVD 0.8719
729 8IG 0.8719
730 NPL 0.8719
731 4AV 0.8718
732 CHQ 0.8717
733 TIY 0.8717
734 DXP 0.8716
735 M4T 0.8716
736 C53 0.8716
737 ENO 0.8715
738 PAC 0.8715
739 R9S 0.8715
740 THU 0.8715
741 0SY 0.8714
742 MHK 0.8713
743 5QX 0.8713
744 OX2 0.8712
745 PRA 0.8711
746 B56 0.8711
747 CK2 0.8710
748 SOR 0.8710
749 ASO 0.8710
750 0DN 0.8710
751 BY5 0.8708
752 F6P 0.8708
753 4BF 0.8707
754 CIY 0.8707
755 LEL 0.8706
756 URO 0.8706
757 XQK 0.8705
758 MQB 0.8705
759 4NP 0.8705
760 1P8 0.8704
761 HNH 0.8704
762 4JT 0.8703
763 H33 0.8703
764 56D 0.8703
765 B86 0.8702
766 F5C 0.8701
767 CFI 0.8701
768 R8V 0.8701
769 KFH 0.8701
770 TQU 0.8700
771 7MW 0.8699
772 28N 0.8699
773 3IT 0.8699
774 4NS 0.8697
775 CKA 0.8695
776 E3X 0.8695
777 I2E 0.8695
778 4NM 0.8694
779 M6Z 0.8694
780 CWJ 0.8694
781 2WU 0.8694
782 Z13 0.8693
783 5NE 0.8692
784 8WZ 0.8690
785 FBW 0.8690
786 5GU 0.8689
787 PHB 0.8689
788 HNT 0.8688
789 A5H 0.8688
790 VM1 0.8688
791 1Z8 0.8687
792 XM0 0.8685
793 9H2 0.8684
794 CLW 0.8684
795 NDH 0.8684
796 2BX 0.8684
797 JTA 0.8683
798 9KH 0.8683
799 22L 0.8682
800 7O4 0.8682
801 EV0 0.8681
802 AEG 0.8681
803 46M 0.8680
804 GLU 0.8680
805 5JL 0.8680
806 SKA 0.8679
807 THM 0.8679
808 DUR 0.8679
809 CTL 0.8679
810 I7B 0.8678
811 BHS 0.8678
812 2MI 0.8677
813 78Y 0.8677
814 8G6 0.8677
815 GL6 0.8676
816 6ZW 0.8675
817 MD6 0.8674
818 HHH 0.8674
819 QY9 0.8674
820 3VS 0.8673
821 ORO 0.8672
822 42J 0.8672
823 G3F 0.8672
824 NYL 0.8672
825 P84 0.8672
826 4TU 0.8671
827 G12 0.8670
828 5F5 0.8670
829 XQ0 0.8669
830 TPA 0.8667
831 MZM 0.8667
832 7W1 0.8667
833 2FG 0.8666
834 PAB 0.8666
835 D1X 0.8666
836 C0H 0.8665
837 0FN 0.8664
838 SHA 0.8664
839 MUR 0.8663
840 O2Y 0.8662
841 DBX 0.8661
842 GNV 0.8660
843 ABV 0.8660
844 DA4 0.8660
845 VGD 0.8659
846 0W8 0.8659
847 GJZ 0.8658
848 5VM 0.8658
849 5RP 0.8656
850 I3E 0.8656
851 AH9 0.8656
852 MCY 0.8656
853 BP3 0.8654
854 6XI 0.8654
855 2FY 0.8652
856 36R 0.8651
857 S98 0.8650
858 OTR 0.8650
859 URS 0.8649
860 MIL 0.8649
861 BQ5 0.8648
862 FA6 0.8646
863 I6G 0.8644
864 QQQ 0.8644
865 P92 0.8640
866 TOF 0.8639
867 3AL 0.8639
868 GJK 0.8639
869 8S0 0.8636
870 SN4 0.8636
871 WS6 0.8635
872 GAB 0.8635
873 NIY 0.8634
874 HBD 0.8633
875 GLO 0.8632
876 9PL 0.8632
877 E0O 0.8632
878 ZRK 0.8631
879 PBA 0.8631
880 3FH 0.8631
881 1P7 0.8631
882 HNQ 0.8630
883 K34 0.8630
884 YRL 0.8629
885 XCZ 0.8629
886 49O 0.8629
887 270 0.8627
888 50C 0.8627
889 8OZ 0.8625
890 OQC 0.8624
891 5CU 0.8624
892 149 0.8623
893 AAN 0.8620
894 537 0.8619
895 GLN 0.8619
896 ID2 0.8619
897 5WN 0.8618
898 4MB 0.8618
899 NPO 0.8618
900 MPP 0.8617
901 PPT 0.8617
902 3HB 0.8616
903 B5D 0.8616
904 7D7 0.8615
905 R9G 0.8614
906 MNP 0.8614
907 I7A 0.8613
908 ISZ 0.8612
909 5WV 0.8610
910 FWD 0.8610
911 TAG 0.8610
912 GI1 0.8610
913 CTS 0.8609
914 OVM 0.8609
915 KKN 0.8609
916 1Y6 0.8609
917 BNT 0.8608
918 FA0 0.8608
919 8XQ 0.8606
920 A1Y 0.8605
921 SV4 0.8604
922 PQK 0.8604
923 DOB 0.8602
924 5BT 0.8602
925 2KA 0.8600
926 FUD 0.8599
927 B21 0.8599
928 CNI 0.8595
929 F12 0.8594
930 3YP 0.8594
931 7A2 0.8593
932 K37 0.8593
933 LGC 0.8592
934 DXK 0.8592
935 4M0 0.8590
936 PBZ 0.8590
937 HX3 0.8589
938 JFJ 0.8588
939 DOR 0.8588
940 9KT 0.8587
941 4XR 0.8585
942 67Y 0.8584
943 8MO 0.8584
944 L13 0.8582
945 QPR 0.8581
946 B2Y 0.8579
947 BBK 0.8579
948 P72 0.8578
949 M1Q 0.8577
950 BHA 0.8576
951 CIT 0.8575
952 4MA 0.8575
953 ES7 0.8574
954 BHO 0.8572
955 J9W 0.8572
956 20J 0.8572
957 3L1 0.8571
958 SLC 0.8570
959 61O 0.8567
960 1AL 0.8567
961 3MB 0.8565
962 TXW 0.8565
963 5NU 0.8563
964 RMN 0.8560
965 M1P 0.8560
966 4HC 0.8556
967 BA5 0.8555
968 QBK 0.8555
969 4FF 0.8554
970 OVV 0.8553
971 NF3 0.8553
972 GIV 0.8552
973 SXS 0.8550
974 3D1 0.8549
975 826 0.8546
976 B1J 0.8543
977 DGJ 0.8540
978 DE5 0.8537
979 2H5 0.8536
980 B57 0.8530
981 7CT 0.8524
982 AES 0.8524
983 FP1 0.8521
984 AJ2 0.8520
985 SW7 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CHP; Ligand: F0Y; 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: 6chp.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6CHP; Ligand: F0Y; 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: 6chp.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6CHP; Ligand: F0Y; 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: 6chp.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6CHP; Ligand: F0Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6chp.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6CHP; Ligand: F0Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6chp.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6CHP; Ligand: F0Y; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6chp.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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