Receptor
PDB id Resolution Class Description Source Keywords
4uy1 2.2 Å EC: 3.1.1.4 NOVEL PYRAZOLE SERIES OF GROUP X SECRETORY PHOSPHOLIPASE A2 INHIBITORS HOMO SAPIENS HYDROLASE FRAGMENT BASED LEAD GENERATION VIRTUAL SCREENINGDISCOVERY
Ref.: DISCOVERY OF A NOVEL PYRAZOLE SERIES OF GROUP X SEC PHOSPHOLIPASE A2 INHIBITOR (SPLA2X) VIA FRAGMENT BA VIRTUAL SCREENING BIOORG.MED.CHEM.LETT. V. 24 5251 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG A:1133;
B:1130;
A:1132;
A:1131;
B:1131;
B:1132;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
TJM B:1129;
A:1130;
 Valid;
Valid;
 none;
none;
 ic50 = 20 uM
221.279 C10 H11 N3 O S Cc1cc...
DMS A:1128;
B:1127;
A:1129;
B:1126;
A:1126;
B:1128;
A:1127;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
CA B:200;
A:200;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
1PE A:1125;
B:1125;
A:1124;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
238.278 C10 H22 O6 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OWC 1.75 Å EC: 3.1.1.4 INDOLE-2 CARBOXAMIDES AS SELECTIVE SECRETED PHOSPHOLIPASE A2 (SPLA2-X) INHIBITORS HOMO SAPIENS INHIBITOR SECRETED PHOSPHOLIPASE LIPID BINDING PROTEIN
Ref.: DISCOVERY OF A SERIES OF INDOLE-2 CARBOXAMIDES AS S SECRETED PHOSPHOLIPASE A2TYPE X (SPLA2-X) INHIBITOR ACS MED CHEM LETT V. 9 594 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5OW8 ic50 = 6.9 uM AYN C16 H11 F3 N2 O c1ccc2c(c1....
2 4UY1 ic50 = 20 uM TJM C10 H11 N3 O S Cc1cc(c(s1....
3 5OWC ic50 = 0.026 uM AYZ C19 H15 F3 N2 O4 c1cc(cc(c1....
4 5G3M ic50 = 2.2 uM 9JH C14 H13 N O c1ccc(cc1)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5OW8 ic50 = 6.9 uM AYN C16 H11 F3 N2 O c1ccc2c(c1....
2 4UY1 ic50 = 20 uM TJM C10 H11 N3 O S Cc1cc(c(s1....
3 5OWC ic50 = 0.026 uM AYZ C19 H15 F3 N2 O4 c1cc(cc(c1....
4 5G3M ic50 = 2.2 uM 9JH C14 H13 N O c1ccc(cc1)....
5 6G5J ic50 = 0.2 uM EM8 C20 H17 F3 N2 O4 C[C@H](CC(....
50% Homology Family (86)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1U4J - MAN C6 H12 O6 C([C@@H]1[....
2 4YU7 - DHC C9 H8 O4 c1cc(c(cc1....
3 3MLM - MYR C14 H28 O2 CCCCCCCCCC....
4 3CXI - VIT C29 H50 O2 Cc1c(c2c(c....
5 1XXS - STE C18 H36 O2 CCCCCCCCCC....
6 6PWH - VRD C21 H20 N2 O5 CCc1c(c2c(....
7 3CYL - VIT C29 H50 O2 Cc1c(c2c(c....
8 6MQF - AIN C9 H8 O4 CC(=O)Oc1c....
9 6B81 - OCA C8 H16 O2 CCCCCCCC(=....
10 6DIK - GKP C22 H18 O12 c1c(cc(c(c....
11 6B80 - MYR C14 H28 O2 CCCCCCCCCC....
12 5VFJ Kd = 20 uM DHC C9 H8 O4 c1cc(c(cc1....
13 6B83 - 6NA C6 H12 O2 CCCCCC(=O)....
14 4YV5 Kd = 0.6 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
15 4YZ7 - 9AR C17 H11 N O8 COc1c(ccc2....
16 3QNL - ROA C18 H16 O8 c1cc(c(cc1....
17 1Y4L - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
18 1FDK - GLE C16 H32 F3 O6 P CCCCCCCCCC....
19 1MKV - GEL C20 H45 N O8 P2 CCCCCCCCOC....
20 2B96 - ANN C8 H8 O3 COc1ccc(cc....
21 5OW8 ic50 = 6.9 uM AYN C16 H11 F3 N2 O c1ccc2c(c1....
22 4UY1 ic50 = 20 uM TJM C10 H11 N3 O S Cc1cc(c(s1....
23 5OWC ic50 = 0.026 uM AYZ C19 H15 F3 N2 O4 c1cc(cc(c1....
24 5G3M ic50 = 2.2 uM 9JH C14 H13 N O c1ccc(cc1)....
25 2AZY - CHD C24 H40 O5 C[C@H](CCC....
26 1HN4 Kd = 0.15 mM MJI C22 H44 F3 O6 P CCCCCCCCCC....
27 2B01 - TUD C26 H45 N O6 S C[C@H](CCC....
28 1Y6O - MJI C22 H44 F3 O6 P CCCCCCCCCC....
29 2AZZ - TCH C26 H45 N O7 S C[C@H](CCC....
30 2B04 - CHO C26 H43 N O5 C[C@H](CCC....
31 2B00 - GCH C26 H43 N O6 C[C@H](CCC....
32 5P2P - DHG C20 H42 N O6 P CCCCCCCCCC....
33 3O4M - CAQ C6 H6 O2 c1ccc(c(c1....
34 2B03 - TUD C26 H45 N O6 S C[C@H](CCC....
35 1L8S - LPE C26 H57 N O6 P CCCCCCCCCC....
36 1FXF - MJI C22 H44 F3 O6 P CCCCCCCCCC....
37 1FX9 - MJI C22 H44 F3 O6 P CCCCCCCCCC....
38 3QLM Ki = 0.0000158 M PLM C16 H32 O2 CCCCCCCCCC....
39 1POE - GEL C20 H45 N O8 P2 CCCCCCCCOC....
40 1DB4 - 8IN C21 H25 N2 O5 P Cc1c(c2cc(....
41 1KQU - BR4 C25 H33 N O3 c1ccc(cc1)....
42 5G3N ic50 = 0.012 uM X28 C23 H21 N O3 c1ccc(cc1)....
43 1KVO ic50 = 0.013 uM OAP C31 H37 N O3 S c1ccc(cc1)....
44 1J1A ic50 = 0.029 uM BHP C31 H37 N O4 c1ccc(cc1)....
45 6CE2 Kd = 0.5 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
46 2QVD Kd = 0.000000064 M BER C20 H18 N O4 COc1ccc2cc....
47 1ZWP - NIM C13 H12 N2 O5 S CS(=O)(=O)....
48 1OXL - IDA C15 H18 N2 O3 CCCc1cc2cc....
49 1TG4 - PHE LEU ALA TYR LYS n/a n/a
50 1SKG - VAL ALA PHE ARG SER n/a n/a
51 1JQ9 Kd = 3.57 nM PHE LEU SER TYR LYS n/a n/a
52 2ARM Kd = 0.000000064 M OIN C17 H23 N O3 CN1[C@H]2C....
53 1FV0 Ki = 1.18 uM 9AR C17 H11 N O8 COc1c(ccc2....
54 1Q7A Kd = 0.000000064 M OPB C19 H20 N2 O3 CCCC[C@H]1....
55 1TG1 - PHQ LEU VAL ARG TYR n/a n/a
56 1ZYX - LCF C23 H22 Cl N O2 CC1(Cc2c(c....
57 1TJK - PHE LEU SER THR LYS n/a n/a
58 1KPM Ki = 1.59 uM VIT C29 H50 O2 Cc1c(c2c(c....
59 1TP2 - TDA C13 H26 O2 CCCCCCCCCC....
60 1TDV - TYR TRP ALA ALA ALA ALA n/a n/a
61 1TJ9 - VAL ALA ARG SER n/a n/a
62 1JQ8 Ki = 1.01 uM LEU ALA ILE TYR SER n/a n/a
63 1SQZ - PHQ ILE ALA ARG SER n/a n/a
64 1TGM - AIN C9 H8 O4 CC(=O)Oc1c....
65 1ZR8 - AJM C18 H22 N2 O2 C[N@]1c2cc....
66 1TH6 - OIN C17 H23 N O3 CN1[C@H]2C....
67 1Y38 - G3P C3 H9 O6 P C([C@H](CO....
68 3H1X Kd = 0.000000064 M IMN C19 H16 Cl N O4 Cc1c(c2cc(....
69 1SXK - BHA C7 H7 N O3 c1cc(c(cc1....
70 1TK4 - ALA ILE ARG SER n/a n/a
71 1SV3 - ANN C8 H8 O3 COc1ccc(cc....
72 5WZW ic50 = 1.23 uM U8D C22 H27 N2 O5 P CCc1c(c2cc....
73 5WZU ic50 = 0.1 uM 7W3 C21 H17 F3 N2 O5 Cc1c(c2c(n....
74 5WZT ic50 = 0.22 uM 7W6 C20 H17 Br N2 O5 Cc1c(c2c(n....
75 5WZS ic50 = 0.28 uM 7W9 C24 H20 N2 O5 Cc1c(c2c(n....
76 5Y5E - 7W3 C21 H17 F3 N2 O5 Cc1c(c2c(n....
77 5WZV ic50 = 0.21 uM 7W0 C26 H22 N2 O5 Cc1c(c2c(n....
78 6G5J ic50 = 0.2 uM EM8 C20 H17 F3 N2 O4 C[C@H](CC(....
79 2QHD - DAO C12 H24 O2 CCCCCCCCCC....
80 3BJW - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
81 1S8G - DAO C12 H24 O2 CCCCCCCCCC....
82 1POB - GEL C20 H45 N O8 P2 CCCCCCCCOC....
83 1TD7 Kd = 43 uM NFL C13 H9 F3 N2 O2 c1cc(cc(c1....
84 1OXR Kd = 0.000000064 M AIN C9 H8 O4 CC(=O)Oc1c....
85 2WQ5 Kd = 180 uM MIY C23 H27 N3 O7 CN(C)c1ccc....
86 1MF4 Ki = 10.2 nM VAL ALA PHE ARG SER n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TJM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TJM 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TJM; Similar ligands found: 562
No: Ligand Similarity coefficient
1 FCD 0.9641
2 YE6 0.9561
3 FC2 0.9548
4 B21 0.9511
5 G14 0.9491
6 ZZA 0.9481
7 5C1 0.9410
8 5GV 0.9347
9 PQT 0.9332
10 3VQ 0.9330
11 B23 0.9316
12 7O4 0.9312
13 ODK 0.9284
14 A7K 0.9279
15 BBY 0.9273
16 4G2 0.9268
17 Q4G 0.9265
18 0FR 0.9265
19 5H6 0.9253
20 KLE 0.9236
21 6HO 0.9236
22 28B 0.9234
23 KW7 0.9234
24 4FF 0.9226
25 KYN 0.9226
26 9FH 0.9222
27 JMG 0.9219
28 D9Z 0.9218
29 47V 0.9216
30 M4N 0.9214
31 0NX 0.9203
32 833 0.9199
33 QIV 0.9198
34 4AU 0.9184
35 FHV 0.9182
36 4ZF 0.9182
37 1XS 0.9172
38 92G 0.9170
39 4V2 0.9168
40 5VU 0.9164
41 Y3L 0.9160
42 1AJ 0.9157
43 WVV 0.9156
44 2D2 0.9152
45 8CC 0.9152
46 363 0.9143
47 A5H 0.9143
48 HNT 0.9141
49 PUE 0.9141
50 9JT 0.9141
51 LZ5 0.9140
52 M83 0.9139
53 AJG 0.9130
54 9UL 0.9129
55 Q9T 0.9126
56 L1T 0.9125
57 8D6 0.9124
58 TRP 0.9116
59 AUV 0.9114
60 LFQ 0.9099
61 RA7 0.9098
62 2JX 0.9097
63 FER 0.9092
64 TIA 0.9089
65 BP7 0.9088
66 GZ2 0.9085
67 XI7 0.9078
68 78Y 0.9075
69 K48 0.9073
70 FZM 0.9072
71 RKV 0.9069
72 28A 0.9060
73 5E5 0.9060
74 0K7 0.9057
75 YZM 0.9053
76 NK5 0.9051
77 7MW 0.9050
78 L22 0.9050
79 1A7 0.9049
80 LJ4 0.9049
81 XEV 0.9045
82 5WK 0.9039
83 JOV 0.9038
84 CK1 0.9036
85 PQM 0.9034
86 ATX 0.9030
87 L5D 0.9030
88 1HR 0.9029
89 6MW 0.9027
90 JGB 0.9026
91 5B2 0.9019
92 MR6 0.9017
93 5FL 0.9016
94 SQV 0.9014
95 IQQ 0.9013
96 JF8 0.9012
97 QKU 0.9008
98 795 0.9006
99 9FG 0.9005
100 4XF 0.9004
101 W29 0.9003
102 TOH 0.9003
103 HRM 0.9003
104 5F8 0.9002
105 KCH 0.9001
106 S0D 0.9001
107 LR2 0.9000
108 EQA 0.9000
109 5FD 0.8999
110 GO2 0.8999
111 S7S 0.8998
112 0UL 0.8996
113 1SF 0.8993
114 STX 0.8990
115 B1J 0.8988
116 L03 0.8987
117 3XH 0.8987
118 D8Q 0.8986
119 GOE 0.8985
120 D2G 0.8985
121 D1Y 0.8985
122 LL1 0.8984
123 L2K 0.8982
124 EAT 0.8982
125 6H2 0.8979
126 0SY 0.8979
127 GNW 0.8979
128 1FE 0.8978
129 S7D 0.8977
130 TMG 0.8976
131 CX6 0.8973
132 VM1 0.8972
133 I3E 0.8971
134 A9B 0.8969
135 6Q3 0.8967
136 OA1 0.8967
137 5AD 0.8966
138 HNH 0.8966
139 ZIP 0.8965
140 ZRK 0.8963
141 PZ8 0.8961
142 3D8 0.8960
143 CBE 0.8958
144 QME 0.8957
145 X48 0.8956
146 S8G 0.8952
147 CK2 0.8951
148 PQS 0.8947
149 848 0.8946
150 AWE 0.8946
151 ADN 0.8944
152 XCG 0.8943
153 NFZ 0.8943
154 BGU 0.8939
155 2FX 0.8937
156 4I8 0.8936
157 TIZ 0.8935
158 ZME 0.8934
159 3VS 0.8932
160 A4N 0.8930
161 3VX 0.8927
162 5CD 0.8927
163 5O6 0.8926
164 S60 0.8925
165 OCZ 0.8924
166 FY8 0.8920
167 46P 0.8920
168 3VW 0.8918
169 AVX 0.8917
170 4Z3 0.8917
171 MPP 0.8914
172 IWT 0.8914
173 1VK 0.8913
174 50C 0.8912
175 MR5 0.8911
176 26C 0.8911
177 D3G 0.8911
178 6P3 0.8909
179 HX4 0.8908
180 KF5 0.8907
181 6FB 0.8906
182 LJ3 0.8904
183 ZYQ 0.8903
184 5F5 0.8903
185 Q2S 0.8899
186 EN1 0.8898
187 3SU 0.8898
188 JPQ 0.8896
189 DUR 0.8895
190 IQ5 0.8895
191 HHS 0.8893
192 1ER 0.8892
193 J1K 0.8892
194 SNV 0.8892
195 3IL 0.8889
196 C0H 0.8889
197 5P3 0.8889
198 492 0.8888
199 THM 0.8887
200 2GD 0.8886
201 7VP 0.8886
202 PRL 0.8885
203 JCZ 0.8884
204 HL4 0.8882
205 EQW 0.8882
206 ZHA 0.8881
207 HA6 0.8878
208 BZE 0.8878
209 K80 0.8877
210 J38 0.8875
211 5GT 0.8874
212 J6W 0.8874
213 TB8 0.8874
214 RBV 0.8872
215 F4K 0.8872
216 344 0.8870
217 XIF XYP 0.8870
218 XYP XIF 0.8870
219 A5Q 0.8869
220 P4L 0.8869
221 2QU 0.8867
222 D1G 0.8867
223 HJH 0.8866
224 5I5 0.8866
225 AV4 0.8865
226 2PK 0.8863
227 7L4 0.8860
228 P80 0.8860
229 AMR 0.8860
230 G30 0.8860
231 1Z6 0.8860
232 FF2 0.8859
233 N91 0.8857
234 6C5 0.8857
235 9CE 0.8855
236 SWX 0.8854
237 0DF 0.8853
238 MR4 0.8853
239 2QV 0.8852
240 4AB 0.8852
241 JAH 0.8851
242 FMQ 0.8850
243 272 0.8850
244 7G2 0.8849
245 XDK 0.8849
246 1KN 0.8849
247 0LO 0.8848
248 X6W 0.8847
249 C53 0.8847
250 DAH 0.8846
251 PIQ 0.8845
252 68B 0.8844
253 GT4 0.8842
254 KTJ 0.8840
255 VJJ 0.8840
256 ERZ 0.8839
257 4GU 0.8839
258 V1T 0.8838
259 X6P 0.8838
260 NPS 0.8837
261 GZV 0.8837
262 A4Q 0.8836
263 F40 0.8835
264 IPO 0.8835
265 2P3 0.8833
266 5TY 0.8832
267 0ON 0.8829
268 SQ4 0.8828
269 3C5 0.8828
270 DXK 0.8828
271 NE2 0.8827
272 3TC 0.8827
273 C82 0.8825
274 3AD 0.8825
275 9R5 0.8825
276 72E 0.8824
277 IOP 0.8824
278 BPY 0.8823
279 5SJ 0.8820
280 6DQ 0.8818
281 DFL 0.8818
282 6C9 0.8816
283 C4E 0.8816
284 N9J 0.8815
285 CC5 0.8815
286 PPY 0.8814
287 2GQ 0.8814
288 3IP 0.8813
289 7EH 0.8813
290 2UD 0.8812
291 DHC 0.8811
292 FCW 0.8810
293 LR8 0.8810
294 4LV 0.8809
295 ZEA 0.8808
296 2WU 0.8807
297 1A5 0.8806
298 J84 0.8806
299 AJ1 0.8805
300 6J5 0.8805
301 RSV 0.8805
302 WLH 0.8804
303 4LW 0.8801
304 H35 0.8801
305 0XR 0.8800
306 L15 0.8799
307 6ZX 0.8798
308 54E 0.8797
309 I2E 0.8797
310 A6W 0.8796
311 WA2 0.8796
312 D25 0.8796
313 H4B 0.8796
314 5N5 0.8796
315 E9S 0.8794
316 6KT 0.8794
317 5DS 0.8794
318 OLU 0.8793
319 PH3 0.8792
320 TFM 0.8791
321 IKY 0.8790
322 K97 0.8789
323 FYR 0.8788
324 NKI 0.8788
325 BIO 0.8787
326 JSX 0.8786
327 S1D 0.8785
328 SZ5 0.8785
329 JVD 0.8784
330 VBC 0.8784
331 1ZC 0.8783
332 4BY 0.8782
333 KLV 0.8782
334 E3X 0.8781
335 HNK 0.8779
336 R2P 0.8779
337 25F 0.8779
338 WCU 0.8778
339 0OK 0.8777
340 A7Q 0.8777
341 MD6 0.8776
342 1EB 0.8775
343 JGY 0.8773
344 U4J 0.8772
345 6C4 0.8772
346 PH2 0.8771
347 BQ2 0.8769
348 AH9 0.8766
349 9NB 0.8766
350 SOV 0.8765
351 3F4 0.8762
352 P7V 0.8762
353 Q5M 0.8761
354 AJ4 0.8760
355 TVC 0.8760
356 FC3 0.8758
357 HH6 0.8758
358 AOY 0.8756
359 F02 0.8756
360 OQC 0.8755
361 LOT 0.8755
362 H2B 0.8754
363 14W 0.8754
364 4Z1 0.8754
365 S98 0.8754
366 H4E 0.8754
367 2K8 0.8751
368 VAO 0.8751
369 Q92 0.8749
370 4BL 0.8749
371 79W 0.8749
372 6DE 0.8748
373 EYV 0.8747
374 X0U 0.8745
375 TU0 0.8745
376 549 0.8744
377 ELH 0.8744
378 CTE 0.8743
379 3ZB 0.8743
380 8NX 0.8742
381 6L6 0.8741
382 MUX 0.8740
383 A18 0.8739
384 ZEZ 0.8739
385 NQ7 0.8736
386 H70 0.8736
387 37E 0.8735
388 0GA 0.8731
389 U2Z 0.8731
390 XDL XYP 0.8731
391 1FL 0.8730
392 KLS 0.8730
393 FBC 0.8730
394 EZL 0.8729
395 KMY 0.8728
396 AVA 0.8727
397 5WN 0.8727
398 3RP 0.8725
399 3Y7 0.8724
400 RCV 0.8724
401 BXZ 0.8723
402 T1N 0.8722
403 R20 0.8721
404 3D1 0.8720
405 BVS 0.8719
406 SLS 0.8718
407 N2M 0.8718
408 JFS 0.8717
409 LVD 0.8717
410 4NP 0.8716
411 NOC 0.8716
412 KWV 0.8714
413 NE1 0.8711
414 VFG 0.8711
415 2QC 0.8711
416 ZEC 0.8709
417 CX5 0.8709
418 XYS XYS 0.8709
419 DT7 0.8708
420 K7H 0.8708
421 OHJ 0.8707
422 MIL 0.8707
423 WSD 0.8707
424 GJK 0.8705
425 1L5 0.8704
426 UNJ 0.8704
427 ARJ 0.8704
428 VFJ 0.8704
429 HC4 0.8703
430 61M 0.8701
431 E7S 0.8700
432 5S9 0.8700
433 HHR 0.8699
434 RGK 0.8699
435 8XL 0.8698
436 4BX 0.8697
437 7MX 0.8697
438 3N1 0.8696
439 0OY 0.8696
440 39Z 0.8695
441 XYP XYP 0.8693
442 7ZL 0.8691
443 GB4 0.8691
444 HMZ 0.8689
445 KTW 0.8689
446 CPZ 0.8687
447 11X 0.8687
448 MSR 0.8685
449 36M 0.8685
450 EWG 0.8685
451 A51 0.8684
452 CH9 0.8683
453 49P 0.8683
454 F63 0.8679
455 78U 0.8679
456 P2L 0.8678
457 4MB 0.8676
458 GVY 0.8674
459 A29 0.8674
460 VC3 0.8674
461 60L 0.8674
462 BVA 0.8673
463 TT4 0.8672
464 GXG 0.8671
465 MMJ 0.8670
466 H75 0.8670
467 VM7 0.8670
468 0LA 0.8666
469 8UY 0.8665
470 ESI 0.8663
471 XDN XYP 0.8661
472 27K 0.8660
473 0QV 0.8660
474 PLP 0.8660
475 PBQ 0.8660
476 ZSP 0.8659
477 HNL 0.8656
478 9BF 0.8655
479 BNL 0.8654
480 WV7 0.8654
481 7N8 0.8650
482 N7I 0.8650
483 KP2 0.8649
484 TZF 0.8649
485 FHC 0.8649
486 VFM 0.8648
487 CWD 0.8648
488 4NS 0.8647
489 V2Z 0.8644
490 FWD 0.8644
491 C8O 0.8643
492 7FU 0.8640
493 72D 0.8640
494 S8D 0.8637
495 A5E 0.8637
496 H7S 0.8634
497 2PV 0.8632
498 SSC 0.8632
499 KWB 0.8631
500 DDU 0.8630
501 IDZ 0.8629
502 2B4 0.8628
503 BX4 0.8628
504 DCZ 0.8628
505 DRG 0.8628
506 5TT 0.8627
507 JF1 0.8626
508 S0E 0.8626
509 36Y 0.8626
510 XRS 0.8625
511 S6P 0.8625
512 A4D 0.8625
513 K25 0.8621
514 AOT 0.8620
515 IAC 0.8618
516 QBS 0.8618
517 EZN 0.8617
518 SNU 0.8616
519 N4E 0.8615
520 SG2 0.8614
521 A6Z 0.8614
522 1HP 0.8612
523 0JD 0.8609
524 4FP 0.8606
525 HIC 0.8605
526 6DH 0.8603
527 PMP 0.8602
528 5OO 0.8600
529 N1E 0.8598
530 0J5 0.8597
531 ENG 0.8594
532 HHV 0.8590
533 NPX 0.8586
534 HQJ 0.8584
535 9ZE 0.8583
536 80G 0.8580
537 PCQ 0.8580
538 7FZ 0.8579
539 6TZ 0.8578
540 HA5 0.8576
541 2F6 0.8575
542 NAG 0.8572
543 JA5 0.8571
544 4AF 0.8570
545 PLR 0.8568
546 TXW 0.8568
547 1QV 0.8567
548 68A 0.8561
549 CJZ 0.8561
550 DTR 0.8558
551 XYS XYP 0.8556
552 CIY 0.8556
553 PLP PMP 0.8548
554 WOE 0.8546
555 GF4 0.8545
556 PRO GLY 0.8541
557 LTT 0.8541
558 C1M 0.8536
559 3DE 0.8527
560 092 0.8525
561 56D 0.8520
562 WA1 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OWC; Ligand: AYZ; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5owc.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6N9H 308 6.25
Pocket No.: 2; Query (leader) PDB : 5OWC; Ligand: AYZ; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 5owc.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6RQP OLC None
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