Receptor
PDB id Resolution Class Description Source Keywords
4GQQ 1.35 Å EC: 3.2.1.1 HUMAN PANCREATIC ALPHA-AMYLASE WITH BOUND ETHYL CAFFEATE HOMO SAPIENS GLYCOSYL HYDROLASE NONCOMPETITIVE INHIBITION DIABETES OBEDIGESTION GLYCOSIDASE ENZYME INHIBITION FLAVONOL MYRICEDESIGN HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: ORDER AND DISORDER: DIFFERENTIAL STRUCTURAL IMPACTS MYRICETIN AND ETHYL CAFFEATE ON HUMAN AMYLASE, AN ANTIDIABETIC TARGET. J.MED.CHEM. V. 55 10177 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0XR A:502;
A:503;
A:504;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
208.211 C11 H12 O4 CCOC(...
CA A:506;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
CL A:505;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
NAG A:501;
 Invalid;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4W93 1.35 Å EC: 3.2.1.1 HUMAN PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH MONTBRETIN A HOMO SAPIENS AMYLASE GLUCOSYL HYDROLASE ENZYME INHIBITOR DIABETES HYDHYDROLASE INHIBITOR COMPLEX
Ref.: THE AMYLASE INHIBITOR MONTBRETIN A REVEALS A NEW GL INHIBITION MOTIF. NAT.CHEM.BIOL. V. 11 691 2015
Members (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3OLE Ki = 0.0147 uM GLC GLC G6D GLC ACI G6D ACI n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.2549 uM GLC GLC G6D GLC ACI GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM BGC GLC G6D GLC HSD G6D HSD n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC GLC AGL HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - GLC GLC GLC GLC GLC GLC n/a n/a
17 3OLI Ki = 0.0416 uM GLC GLC G6D GLC HSD G6D HSD n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - BGC GLC AC1 n/a n/a
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - GLC AC1 n/a n/a
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 6OCN - NAG C8 H15 N O6 CC(=O)N[C@....
26 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
27 6OBX - ZXU C36 H32 N2 O12 c1cc(ccc1C....
28 1NM9 - GLC AGL HMC n/a n/a
29 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
30 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
31 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
70% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3OLE Ki = 0.0147 uM GLC GLC G6D GLC ACI G6D ACI n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.2549 uM GLC GLC G6D GLC ACI GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM BGC GLC G6D GLC HSD G6D HSD n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC GLC AGL HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - GLC GLC GLC GLC GLC GLC n/a n/a
17 3OLI Ki = 0.0416 uM GLC GLC G6D GLC HSD G6D HSD n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - BGC GLC AC1 n/a n/a
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - GLC AC1 n/a n/a
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 6OCN - NAG C8 H15 N O6 CC(=O)N[C@....
26 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
27 6OBX - ZXU C36 H32 N2 O12 c1cc(ccc1C....
28 1NM9 - GLC AGL HMC n/a n/a
29 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
30 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
31 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
32 1OSE - BGC AC1 GLC AC1 n/a n/a
33 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
34 1HX0 - GLC AC1 GLC AC1 n/a n/a
35 1WO2 - BGC GLC GLC n/a n/a
36 1JFH Ki = 9 mM MA3 MA2 n/a n/a
37 3L2L - GLC GLC GLC GLC n/a n/a
38 1UA3 - GLC GLC GLC n/a n/a
39 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
40 1PPI Ki = 9.7 uM BGC GLC DAF GLC n/a n/a
41 1PIG ic50 = 0.7 nM BGC GLC AGL GLC HMC AGL n/a n/a
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3OLE Ki = 0.0147 uM GLC GLC G6D GLC ACI G6D ACI n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.2549 uM GLC GLC G6D GLC ACI GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM BGC GLC G6D GLC HSD G6D HSD n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC GLC AGL HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - GLC GLC GLC GLC GLC GLC n/a n/a
17 3OLI Ki = 0.0416 uM GLC GLC G6D GLC HSD G6D HSD n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - BGC GLC AC1 n/a n/a
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - GLC AC1 n/a n/a
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 6OCN - NAG C8 H15 N O6 CC(=O)N[C@....
26 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
27 6OBX - ZXU C36 H32 N2 O12 c1cc(ccc1C....
28 1NM9 - GLC AGL HMC n/a n/a
29 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
30 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
31 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
32 6M4M - GLC GLC GLC GLC GLC GLC n/a n/a
33 1OSE - BGC AC1 GLC AC1 n/a n/a
34 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
35 1HX0 - GLC AC1 GLC AC1 n/a n/a
36 1WO2 - BGC GLC GLC n/a n/a
37 1JFH Ki = 9 mM MA3 MA2 n/a n/a
38 3L2L - GLC GLC GLC GLC n/a n/a
39 1UA3 - GLC GLC GLC n/a n/a
40 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
41 1PPI Ki = 9.7 uM BGC GLC DAF GLC n/a n/a
42 1PIG ic50 = 0.7 nM BGC GLC AGL GLC HMC AGL n/a n/a
43 1G94 - GLC GLC GLC DAF DAF n/a n/a
44 1KXH - GLC GLC AC1 n/a n/a
45 1G9H - BGC DAF n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0XR; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 0XR 1 1
2 PWH 0.686275 0.818182
3 ZYC 0.641509 0.83871
4 QAP 0.566667 0.8125
5 GKP 0.566038 0.69697
6 DHC 0.553191 0.785714
7 ROA 0.476923 0.705882
8 BUN 0.457627 0.65625
9 7FD 0.42029 0.638889
Similar Ligands (3D)
Ligand no: 1; Ligand: 0XR; Similar ligands found: 643
No: Ligand Similarity coefficient
1 GB5 0.9430
2 28B 0.9350
3 1Q2 0.9328
4 GOE 0.9299
5 5O5 0.9292
6 YIH 0.9292
7 C9M 0.9279
8 EEK 0.9250
9 KLS 0.9250
10 U13 0.9246
11 1Q1 0.9237
12 RQD 0.9235
13 7G2 0.9228
14 S0D 0.9228
15 2QV 0.9222
16 KWV 0.9193
17 N9M 0.9189
18 HL6 0.9189
19 STL 0.9188
20 ZEA 0.9184
21 BMC 0.9184
22 833 0.9181
23 1XS 0.9178
24 TRP 0.9177
25 OLU 0.9172
26 3N0 0.9165
27 A9B 0.9153
28 0QA 0.9153
29 1HP 0.9152
30 GB4 0.9150
31 IAG 0.9146
32 ZTW 0.9144
33 I2E 0.9143
34 2JX 0.9127
35 8YH 0.9126
36 QH3 0.9126
37 0A9 0.9125
38 28A 0.9123
39 5F1 0.9120
40 DAH 0.9119
41 M83 0.9117
42 2P3 0.9116
43 TPM 0.9107
44 3GZ 0.9106
45 SX2 0.9105
46 27K 0.9104
47 C4E 0.9103
48 WA2 0.9100
49 S0A 0.9094
50 9VZ 0.9092
51 IW4 0.9091
52 FER 0.9090
53 0OP 0.9088
54 D8Y 0.9086
55 0SY 0.9084
56 F18 0.9084
57 UL1 0.9080
58 RDV 0.9079
59 LJ2 0.9077
60 Q2S 0.9076
61 EMF 0.9074
62 SB9 0.9072
63 397 0.9067
64 IJ4 0.9066
65 J1K 0.9063
66 PQV 0.9062
67 LJ1 0.9061
68 AVX 0.9057
69 Q92 0.9054
70 MMS 0.9052
71 5VU 0.9050
72 7HV 0.9050
73 47V 0.9050
74 BVS 0.9046
75 4FE 0.9046
76 245 0.9046
77 5SJ 0.9045
78 3IB 0.9044
79 LVP 0.9042
80 4CN 0.9041
81 ZE7 0.9040
82 STV 0.9038
83 YIP 0.9037
84 TVC 0.9033
85 J4K 0.9030
86 6H2 0.9029
87 ETV 0.9026
88 YF3 0.9021
89 5PV 0.9021
90 1A6 0.9021
91 ZEZ 0.9019
92 JXQ 0.9017
93 4BX 0.9014
94 HRG 0.9013
95 6NJ 0.9013
96 2JP 0.9011
97 4OG 0.9011
98 5ER 0.9006
99 1EB 0.9005
100 L12 0.9005
101 4ZF 0.9002
102 TMG 0.9000
103 3S9 0.9000
104 ERZ 0.8998
105 ESJ 0.8998
106 RB7 0.8996
107 T03 0.8993
108 ZIP 0.8990
109 WCU 0.8989
110 BVB 0.8987
111 GJK 0.8986
112 N9J 0.8985
113 YOF 0.8985
114 4Z1 0.8982
115 HPP 0.8981
116 4P9 0.8980
117 N5B 0.8977
118 0K7 0.8976
119 FZ3 0.8974
120 TB8 0.8971
121 TR7 0.8970
122 NFZ 0.8967
123 IYR 0.8965
124 5TO 0.8964
125 OJM 0.8962
126 5H6 0.8962
127 OJD 0.8962
128 IOP 0.8962
129 9BF 0.8961
130 RCV 0.8961
131 A7Q 0.8960
132 FHV 0.8960
133 5B2 0.8959
134 0DJ 0.8958
135 A63 0.8958
136 6C8 0.8958
137 JKK 0.8957
138 4UM 0.8956
139 1FE 0.8956
140 NOT 0.8956
141 HC4 0.8955
142 HVE 0.8953
143 PIQ 0.8949
144 A6W 0.8947
145 4Z9 0.8947
146 S0B 0.8946
147 2LT 0.8945
148 T07 0.8944
149 DTR 0.8942
150 XCG 0.8942
151 TYR 0.8940
152 7KE 0.8940
153 IPL 0.8940
154 TOH 0.8939
155 A51 0.8939
156 00G 0.8937
157 6C5 0.8937
158 XI7 0.8936
159 IPJ 0.8935
160 TID 0.8934
161 SB7 0.8934
162 IEE 0.8934
163 848 0.8934
164 D64 0.8932
165 0V7 0.8932
166 9JT 0.8931
167 0V8 0.8928
168 0ON 0.8927
169 3CX 0.8927
170 AOY 0.8925
171 QME 0.8925
172 68B 0.8925
173 0NJ 0.8920
174 ENO 0.8920
175 XEV 0.8918
176 AHC 0.8917
177 NAL 0.8917
178 HAR 0.8916
179 7PS 0.8914
180 5ZM 0.8913
181 JF5 0.8909
182 NK5 0.8909
183 UAY 0.8909
184 EMU 0.8908
185 RSV 0.8906
186 2QU 0.8906
187 MPP 0.8906
188 EYJ 0.8906
189 08C 0.8906
190 5NR 0.8906
191 F52 0.8903
192 SAZ 0.8903
193 SJR 0.8903
194 BXS 0.8902
195 WA1 0.8902
196 MFY 0.8901
197 3D3 0.8900
198 HWH 0.8900
199 3TC 0.8894
200 XRX 0.8891
201 U4J 0.8891
202 MR4 0.8890
203 0DF 0.8889
204 DBE 0.8889
205 ND5 0.8886
206 P80 0.8886
207 S1D 0.8884
208 X48 0.8883
209 D1Y 0.8883
210 PLP 0.8882
211 L5D 0.8881
212 N18 0.8879
213 6FG 0.8879
214 6U5 0.8878
215 ARG 0.8878
216 2E5 0.8878
217 5E5 0.8877
218 EQW 0.8875
219 VBC 0.8874
220 G2V 0.8873
221 6IP 0.8871
222 GJB 0.8869
223 SE5 0.8869
224 IJ1 0.8868
225 G30 0.8867
226 GJG 0.8866
227 7EH 0.8865
228 AHL 0.8865
229 HPX 0.8863
230 ENG 0.8863
231 ZHA 0.8863
232 NOC 0.8863
233 ARJ 0.8863
234 C4F 0.8862
235 5TT 0.8862
236 A73 0.8862
237 S0W 0.8861
238 ZRK 0.8861
239 P4T 0.8861
240 API 0.8860
241 D26 0.8860
242 LR2 0.8857
243 P81 0.8856
244 RNK 0.8856
245 CIY 0.8854
246 1V1 0.8851
247 8CC 0.8849
248 6N4 0.8849
249 Z3R 0.8848
250 V15 0.8847
251 6L6 0.8847
252 3IL 0.8846
253 H35 0.8845
254 BB4 0.8844
255 6J5 0.8844
256 ASE 0.8842
257 A6Z 0.8841
258 GVY 0.8840
259 IQQ 0.8839
260 11X 0.8838
261 P2L 0.8837
262 IPO 0.8835
263 MR6 0.8835
264 7G0 0.8834
265 6C9 0.8833
266 DTE 0.8833
267 F91 0.8832
268 GT4 0.8831
269 PE2 0.8831
270 Q4G 0.8830
271 A5H 0.8830
272 CXH 0.8830
273 KYN 0.8829
274 QIV 0.8828
275 6T5 0.8828
276 FF2 0.8827
277 PBN 0.8827
278 3D1 0.8826
279 ALJ 0.8825
280 1PS 0.8825
281 KPV 0.8824
282 5OR 0.8820
283 5S9 0.8820
284 20D 0.8819
285 4FF 0.8818
286 C0V 0.8818
287 4RG 0.8818
288 3IP 0.8816
289 IDZ 0.8815
290 HH6 0.8814
291 K7H 0.8812
292 DTB 0.8811
293 PIT 0.8811
294 0H9 0.8810
295 VFJ 0.8809
296 5WW 0.8809
297 D53 0.8809
298 2PK 0.8808
299 BP7 0.8808
300 0UL 0.8807
301 ADN 0.8807
302 68C 0.8805
303 4GU 0.8805
304 25F 0.8804
305 1UZ 0.8801
306 NE2 0.8800
307 TJM 0.8800
308 BMZ 0.8799
309 NIY 0.8797
310 MR5 0.8797
311 JFS 0.8796
312 A9E 0.8796
313 122 0.8796
314 K0G 0.8795
315 JCQ 0.8795
316 JVD 0.8794
317 TOM 0.8793
318 ALY 0.8793
319 D25 0.8792
320 RE2 0.8791
321 BSU 0.8790
322 GVI 0.8790
323 2UV 0.8789
324 LVD 0.8788
325 BGK 0.8788
326 6HP 0.8788
327 E9S 0.8788
328 AV4 0.8788
329 JCZ 0.8787
330 90G 0.8787
331 DFL 0.8787
332 N7I 0.8786
333 LZ4 0.8783
334 83D 0.8783
335 381 0.8783
336 SZ5 0.8782
337 D8Q 0.8782
338 S7D 0.8781
339 36M 0.8780
340 FY8 0.8779
341 1HR 0.8779
342 ALE 0.8777
343 JMG 0.8775
344 F90 0.8775
345 OUA 0.8775
346 BDI 0.8775
347 RGK 0.8774
348 2L1 0.8773
349 DTY 0.8772
350 EES 0.8772
351 JSX 0.8772
352 HHV 0.8771
353 FT6 0.8771
354 DL6 0.8770
355 3F4 0.8770
356 SOJ 0.8769
357 PZX 0.8769
358 4YZ 0.8768
359 EDG AHR 0.8768
360 6Q3 0.8767
361 5TU 0.8765
362 94X 0.8762
363 HPK 0.8762
364 GHQ 0.8762
365 4AU 0.8762
366 EEY 0.8760
367 BTQ 0.8760
368 3D8 0.8760
369 QBM 0.8760
370 U14 0.8759
371 THM 0.8758
372 5HG 0.8758
373 F40 0.8758
374 RNP 0.8755
375 B41 0.8754
376 4FC 0.8753
377 2PV 0.8752
378 S8P 0.8752
379 JYE 0.8751
380 PLR 0.8751
381 38E 0.8750
382 27F 0.8750
383 JA5 0.8749
384 B5A 0.8748
385 EQA 0.8748
386 ITE 0.8748
387 PPT 0.8746
388 ZRL 0.8745
389 EAT 0.8743
390 2M7 0.8743
391 6P3 0.8743
392 3VQ 0.8741
393 1BW 0.8741
394 FZM 0.8741
395 DA3 0.8738
396 WDW 0.8737
397 D8I 0.8737
398 8BD 0.8735
399 FCW 0.8735
400 Q0K 0.8734
401 XYP XYP 0.8734
402 8EU 0.8734
403 E3X 0.8734
404 BTN 0.8733
405 3SU 0.8733
406 6C4 0.8731
407 XDL XYP 0.8731
408 RE4 0.8730
409 92G 0.8730
410 2E6 0.8729
411 KWB 0.8728
412 78Y 0.8727
413 2FX 0.8727
414 Z70 0.8727
415 3C5 0.8727
416 N91 0.8727
417 OUG 0.8727
418 LJ5 0.8726
419 5KJ 0.8726
420 2E4 0.8725
421 AMR 0.8725
422 AC2 0.8725
423 5WK 0.8725
424 S7G 0.8723
425 7PJ 0.8722
426 SY4 0.8721
427 AD6 0.8721
428 PHQ ALA 0.8719
429 27M 0.8718
430 IW3 0.8718
431 M4N 0.8718
432 JGY 0.8717
433 JX7 0.8716
434 HPZ 0.8716
435 G14 0.8715
436 WG8 0.8712
437 U55 0.8710
438 0X2 0.8710
439 C1E 0.8709
440 YE7 0.8709
441 P7V 0.8709
442 856 0.8709
443 IM5 0.8708
444 CLT 0.8707
445 CBE 0.8706
446 BTI 0.8705
447 7FZ 0.8704
448 0OK 0.8703
449 AJG 0.8702
450 JY2 0.8702
451 IW5 0.8698
452 RCM 0.8698
453 FWD 0.8697
454 PFF 0.8697
455 15Q 0.8696
456 JAH 0.8695
457 IQW 0.8695
458 120 0.8695
459 BZM 0.8695
460 X2M 0.8694
461 M29 0.8694
462 M3W 0.8694
463 5O6 0.8694
464 LZ5 0.8694
465 PLP PMP 0.8692
466 E9L 0.8692
467 CTE 0.8692
468 4EU 0.8692
469 LSQ 0.8691
470 RKY 0.8691
471 801 0.8690
472 FTK 0.8690
473 C82 0.8690
474 613 0.8688
475 D8B 0.8688
476 TYC 0.8687
477 124 0.8687
478 YE6 0.8687
479 1UR 0.8686
480 1V0 0.8686
481 XYP XDN 0.8686
482 MKN 0.8685
483 1UT 0.8684
484 PCQ 0.8683
485 5WN 0.8683
486 VT3 0.8683
487 5OO 0.8682
488 246 0.8682
489 H2W 0.8682
490 BBY 0.8682
491 MDR 0.8682
492 TCA 0.8681
493 5M2 0.8681
494 XIL 0.8681
495 GO8 0.8681
496 2GQ 0.8680
497 9NB 0.8680
498 F5C 0.8677
499 4FP 0.8677
500 CDJ 0.8676
501 0NX 0.8675
502 5AD 0.8673
503 8UY 0.8673
504 WLH 0.8672
505 KMY 0.8671
506 Y3L 0.8671
507 IIH 0.8670
508 C1Y 0.8670
509 SQM 0.8669
510 W8L 0.8668
511 1Q4 0.8668
512 RKV 0.8667
513 96Z 0.8665
514 NIP 0.8665
515 5C1 0.8665
516 7VY 0.8664
517 7GP 0.8664
518 6ZX 0.8664
519 2WU 0.8664
520 HNT 0.8662
521 JZR 0.8661
522 272 0.8661
523 UN4 0.8660
524 8D6 0.8659
525 AP6 0.8658
526 JL7 0.8658
527 AHR AHR 0.8656
528 TCC 0.8655
529 FC2 0.8655
530 2D2 0.8655
531 GXG 0.8653
532 L03 0.8652
533 IMI 0.8652
534 4KJ 0.8652
535 4HB 0.8651
536 37E 0.8649
537 8GP 0.8648
538 G6P 0.8647
539 8M5 0.8645
540 4NR 0.8644
541 39R 0.8643
542 GZV 0.8642
543 PRL 0.8642
544 CIU 0.8641
545 4KN 0.8641
546 DXK 0.8640
547 KCH 0.8640
548 TVZ 0.8639
549 1KN 0.8639
550 F36 0.8638
551 23M 0.8637
552 LR8 0.8637
553 TDI 0.8637
554 1UA 0.8636
555 LJ4 0.8635
556 F63 0.8633
557 ML1 0.8629
558 ITW 0.8626
559 BWD 0.8626
560 P93 0.8625
561 SWX 0.8625
562 135 0.8624
563 35K 0.8623
564 6GP 0.8622
565 XDN XYP 0.8620
566 6FX 0.8620
567 LJ3 0.8620
568 CWD 0.8620
569 9OD 0.8619
570 DBS 0.8618
571 4YE 0.8617
572 KWD 0.8617
573 FBC 0.8616
574 LTN 0.8616
575 FMH 0.8615
576 NU3 0.8613
577 KWK 0.8612
578 3G3 0.8611
579 S98 0.8610
580 RF2 0.8608
581 CMG 0.8606
582 0FR 0.8606
583 X04 0.8605
584 BG6 0.8604
585 GNW 0.8604
586 KLE 0.8600
587 NKI 0.8600
588 NZ4 0.8597
589 SBK 0.8595
590 ZZA 0.8595
591 6DH 0.8594
592 GO2 0.8594
593 3VX 0.8593
594 7FU 0.8593
595 PQM 0.8592
596 7L4 0.8590
597 FCD 0.8590
598 HCC 0.8590
599 JGB 0.8588
600 S7S 0.8588
601 ZYQ 0.8588
602 KU1 0.8588
603 6DQ 0.8582
604 4V2 0.8581
605 3K1 0.8581
606 F02 0.8580
607 WVV 0.8580
608 AUV 0.8580
609 3L1 0.8579
610 HRM 0.8576
611 DAR 0.8575
612 ZEC 0.8575
613 OA1 0.8574
614 2E7 0.8573
615 ILO 0.8572
616 DKA 0.8572
617 22M 0.8571
618 REG 0.8569
619 CWE 0.8569
620 GLY NIY 0.8568
621 H4B 0.8568
622 8V8 0.8567
623 XOG 0.8566
624 A05 0.8564
625 5F8 0.8563
626 5FL 0.8559
627 PAU 0.8558
628 IWD 0.8558
629 7MW 0.8557
630 5GV 0.8557
631 1R5 0.8550
632 S1C 0.8549
633 108 0.8547
634 A4D 0.8547
635 LWA 0.8546
636 109 0.8542
637 7O4 0.8538
638 HPF 0.8537
639 GLY GLY GLY 0.8530
640 5UD 0.8530
641 NE1 0.8525
642 MES 0.8521
643 14W 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4W93; Ligand: 3L9; 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: 4w93.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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