Receptor
PDB id Resolution Class Description Source Keywords
1IMB 2.2 Å EC: 3.1.3.25 STRUCTURAL ANALYSIS OF INOSITOL MONOPHOSPHATASE COMPLEXES WI SUBSTRATES HOMO SAPIENS HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF INOSITOL MONOPHOSPHATASE COM WITH SUBSTRATES. BIOCHEMISTRY V. 33 9460 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GD A:278;
B:278;
 Invalid;
Invalid;
 none;
none;
 submit data
157.25 Gd [Gd]
LIP A:279;
B:279;
 Valid;
Valid;
 none;
none;
 submit data
258.12 C6 H11 O9 P [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GIU 1.39 Å EC: 3.1.3.25 HUMAN IMPASE WITH L-690330 HOMO SAPIENS IMPASE COMPLEX LITHIUM HYDROLASE
Ref.: CO-CRYSTALLIZATION OF HUMAN INOSITOL MONOPHOSPHATAS THE LITHIUM MIMETIC L-690,330. ACTA CRYSTALLOGR D STRUCT V. 74 973 2018 BIOL
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1IMA - IPD C6 H11 O9 P [C@H]1([C@....
2 1IMB - LIP C6 H11 O9 P [C@H]1([C@....
3 1AWB - IPD C6 H11 O9 P [C@H]1([C@....
4 6GIU - L69 C8 H12 O8 P2 CC(Oc1ccc(....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1IMA - IPD C6 H11 O9 P [C@H]1([C@....
2 1IMB - LIP C6 H11 O9 P [C@H]1([C@....
3 1AWB - IPD C6 H11 O9 P [C@H]1([C@....
4 6GIU - L69 C8 H12 O8 P2 CC(Oc1ccc(....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1IMA - IPD C6 H11 O9 P [C@H]1([C@....
2 1IMB - LIP C6 H11 O9 P [C@H]1([C@....
3 1AWB - IPD C6 H11 O9 P [C@H]1([C@....
4 6GIU - L69 C8 H12 O8 P2 CC(Oc1ccc(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LIP; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 LIP 1 1
2 IPD 1 1
3 I4D 0.571429 0.9
4 ITP 0.451613 0.870968
5 IP2 0.433333 0.870968
6 2IP 0.413793 0.870968
Similar Ligands (3D)
Ligand no: 1; Ligand: LIP; Similar ligands found: 430
No: Ligand Similarity coefficient
1 ALX 0.9519
2 G6P 0.9339
3 BG6 0.9339
4 6HP 0.9322
5 F5C 0.9295
6 2CZ 0.9271
7 NDG 0.9270
8 QMS 0.9253
9 57O 0.9242
10 M3Q 0.9242
11 NAG 0.9240
12 IBM 0.9228
13 4R1 0.9223
14 GLP 0.9187
15 SG2 0.9172
16 QIF 0.9168
17 D6G 0.9160
18 MQG 0.9154
19 X0T 0.9153
20 G1P 0.9141
21 4KL 0.9132
22 PLR 0.9127
23 6DP 0.9122
24 JV4 0.9122
25 BGP 0.9120
26 X1P 0.9107
27 GDL 0.9107
28 YO5 0.9106
29 3LJ 0.9101
30 V1T 0.9095
31 PLP 0.9086
32 5OF 0.9076
33 3RI 0.9074
34 GZV 0.9071
35 M1P 0.9066
36 790 0.9061
37 9GP 0.9058
38 NBG 0.9055
39 8U3 0.9053
40 K3Q 0.9053
41 X04 0.9046
42 EXD 0.9045
43 BNX 0.9044
44 GP1 0.9042
45 GPM 0.9037
46 NOK 0.9035
47 IOS 0.9033
48 NCV 0.9029
49 2F8 0.9026
50 N2M 0.9024
51 NLA 0.9022
52 GFP 0.9012
53 JF1 0.9011
54 9KH 0.9011
55 AY4 0.9005
56 GC2 0.9003
57 8HC 0.8993
58 0FK 0.8990
59 LOG 0.8987
60 T6Z 0.8983
61 CIP 0.8980
62 A2G 0.8979
63 DNC 0.8972
64 PMP 0.8970
65 XFE 0.8970
66 KYA 0.8969
67 KTW 0.8968
68 BM3 0.8964
69 2JK 0.8963
70 ZON 0.8960
71 P0P 0.8953
72 FWD 0.8953
73 PXP 0.8952
74 ESI 0.8949
75 CR1 0.8947
76 JTH 0.8945
77 JVA 0.8942
78 BY5 0.8942
79 5NS 0.8940
80 PLP PMP 0.8939
81 IAC 0.8938
82 CWD 0.8938
83 CGW 0.8938
84 PVQ 0.8934
85 JR2 0.8933
86 GL1 0.8931
87 OUB 0.8930
88 PVK 0.8930
89 KG1 0.8930
90 APS 0.8927
91 LZ2 0.8924
92 CPW 0.8924
93 7I2 0.8923
94 GXG 0.8922
95 ARP 0.8922
96 IBC 0.8921
97 SYE 0.8916
98 NBV 0.8916
99 NGA 0.8915
100 E7R 0.8913
101 HHS 0.8906
102 GRX 0.8905
103 BWD 0.8900
104 505 0.8900
105 1QV 0.8900
106 L21 0.8898
107 HPT 0.8895
108 54X 0.8894
109 LTM 0.8894
110 MUR 0.8893
111 68A 0.8893
112 KED 0.8892
113 MIG 0.8892
114 SBK 0.8889
115 L7T 0.8889
116 3DT 0.8886
117 EMZ 0.8884
118 S7B 0.8882
119 AX3 0.8882
120 UQ1 0.8879
121 SKF 0.8878
122 I59 0.8876
123 M6P 0.8876
124 8XQ 0.8871
125 8W9 0.8870
126 KGK 0.8869
127 DNF 0.8868
128 B4O 0.8868
129 IL5 0.8868
130 F52 0.8865
131 ABF 0.8861
132 DHY 0.8859
133 5WN 0.8858
134 PA5 0.8852
135 92P 0.8851
136 MP5 0.8846
137 HA5 0.8846
138 IWD 0.8843
139 4XV 0.8841
140 LAO 0.8839
141 ONZ 0.8838
142 MAG 0.8837
143 8NX 0.8835
144 2K8 0.8833
145 OX2 0.8832
146 TSR 0.8831
147 TQU 0.8830
148 0W1 0.8828
149 3Y7 0.8828
150 NPL 0.8828
151 K25 0.8824
152 9F8 0.8823
153 JP2 0.8822
154 ALN 0.8821
155 MQB 0.8820
156 S0G 0.8818
157 ZPF 0.8817
158 AMR 0.8817
159 O2Y 0.8816
160 15N 0.8816
161 5WU 0.8813
162 IPT 0.8813
163 OMD 0.8812
164 2O6 0.8811
165 M5H 0.8811
166 5TY 0.8809
167 HSX 0.8807
168 NVU 0.8806
169 THM 0.8806
170 209 0.8802
171 OA3 0.8802
172 B86 0.8802
173 4GP 0.8801
174 MAJ 0.8799
175 4XS 0.8798
176 BGN 0.8798
177 FF2 0.8794
178 0JD 0.8792
179 DTE 0.8791
180 B56 0.8790
181 STT 0.8786
182 GO2 0.8785
183 5V7 0.8785
184 NPA 0.8783
185 ZYR 0.8781
186 DTR 0.8781
187 K97 0.8779
188 GI3 0.8779
189 TLM 0.8779
190 DK1 0.8778
191 TRP 0.8778
192 12T 0.8776
193 GO8 0.8775
194 BGC 0.8774
195 H33 0.8774
196 5RO 0.8773
197 UFV 0.8773
198 A1Y 0.8771
199 BPY 0.8770
200 UFO 0.8769
201 SNG 0.8766
202 0F9 0.8764
203 F6R 0.8763
204 GCU 0.8761
205 AC2 0.8760
206 HJB 0.8760
207 TWO 0.8760
208 8GK 0.8759
209 1F1 0.8755
210 EGR 0.8755
211 MXD 0.8754
212 KJ5 0.8752
213 CLU 0.8751
214 2LT 0.8750
215 0HO 0.8750
216 HBO 0.8749
217 8VR 0.8748
218 EYA 0.8747
219 3J8 0.8747
220 NQH 0.8746
221 2KA 0.8746
222 9FE 0.8745
223 61M 0.8745
224 0HN 0.8744
225 ZME 0.8743
226 8WT 0.8743
227 SYA 0.8742
228 DNA 0.8741
229 977 0.8740
230 EVF 0.8739
231 KLK 0.8738
232 GXD 0.8737
233 537 0.8736
234 N3W 0.8734
235 3C4 0.8732
236 GDE 0.8732
237 22L 0.8732
238 K68 0.8732
239 PH2 0.8731
240 OSB 0.8729
241 4ME 0.8728
242 7MX 0.8727
243 N8Y 0.8726
244 657 0.8725
245 VXX 0.8725
246 96R 0.8724
247 3GC 0.8724
248 GI1 0.8722
249 LP8 0.8721
250 MCY 0.8720
251 MOK 0.8720
252 BBK 0.8720
253 EYM 0.8720
254 S8A 0.8719
255 EXL 0.8719
256 2CG 0.8714
257 GLC 0.8713
258 LGC 0.8713
259 HHT 0.8712
260 ONR 0.8711
261 9FQ 0.8711
262 TRF 0.8710
263 VNL 0.8709
264 3B4 0.8709
265 9ZE 0.8709
266 LLT 0.8707
267 AIN 0.8706
268 FXH 0.8706
269 GL6 0.8706
270 6J9 0.8706
271 6KT 0.8703
272 NIY 0.8701
273 PYU 0.8699
274 NTF 0.8699
275 HQD 0.8697
276 0DN 0.8697
277 HBI 0.8697
278 2KU 0.8697
279 CRB 0.8696
280 G3F 0.8695
281 CKA 0.8695
282 8NB 0.8694
283 GIV 0.8693
284 97T 0.8693
285 4TU 0.8693
286 MHK 0.8692
287 BPU 0.8691
288 GWM 0.8691
289 CXH 0.8690
290 R9Y 0.8689
291 GNM 0.8687
292 GCS 0.8687
293 6QF 0.8684
294 BZ2 0.8684
295 M78 0.8682
296 CFA 0.8682
297 P84 0.8681
298 S3P 0.8680
299 XQK 0.8680
300 89J 0.8680
301 JF2 0.8680
302 JAW 0.8680
303 ID2 0.8678
304 ANC 0.8678
305 3D1 0.8677
306 15L 0.8677
307 P7Y 0.8675
308 H5B 0.8675
309 2ZM 0.8674
310 2GQ 0.8674
311 CTE 0.8674
312 HNQ 0.8674
313 9BF 0.8672
314 ICO 0.8672
315 0QW 0.8671
316 JB8 0.8670
317 7CT 0.8670
318 RP5 0.8670
319 2HC 0.8670
320 2D3 0.8669
321 MNP 0.8669
322 IOP 0.8667
323 SYR 0.8666
324 EYV 0.8666
325 2FQ 0.8666
326 M1Z 0.8664
327 W8G 0.8662
328 M4B 0.8662
329 3NY 0.8662
330 PFB 0.8661
331 BNT 0.8661
332 DX3 0.8660
333 ZYQ 0.8659
334 6NT 0.8659
335 BDP 0.8658
336 QZ8 0.8657
337 TU0 0.8657
338 SDF 0.8655
339 BK9 0.8655
340 N7I 0.8654
341 A5P 0.8653
342 S3B 0.8651
343 GCB 0.8650
344 DJN 0.8649
345 3A9 0.8646
346 JND 0.8644
347 6NI 0.8642
348 XQI 0.8641
349 GJP 0.8640
350 4BY 0.8637
351 GAL 0.8636
352 PQZ 0.8636
353 2VQ 0.8633
354 SHG 0.8632
355 36E 0.8632
356 7ZC 0.8631
357 LDP 0.8631
358 KFH 0.8627
359 RH1 0.8627
360 5OO 0.8627
361 EUE 0.8627
362 2CL 0.8626
363 YTX 0.8626
364 2SX 0.8626
365 DDU 0.8626
366 C2Y 0.8625
367 3MG 0.8621
368 4WF 0.8619
369 QM1 0.8619
370 KF5 0.8619
371 1QP 0.8619
372 S24 0.8617
373 0FR 0.8617
374 N1E 0.8615
375 FDR 0.8613
376 NZ9 0.8613
377 DHC 0.8612
378 293 0.8611
379 DAH 0.8611
380 BB4 0.8609
381 ALE 0.8608
382 ZYV 0.8607
383 S3C 0.8607
384 JDN 0.8607
385 PRZ 0.8605
386 HQ9 0.8604
387 YOF 0.8601
388 QLI 0.8601
389 ESP 0.8601
390 67X 0.8600
391 772 0.8598
392 SRO 0.8597
393 K37 0.8596
394 S0E 0.8596
395 H4B 0.8594
396 BQ2 0.8593
397 6VD 0.8592
398 TLG 0.8592
399 ADA 0.8591
400 ZIQ 0.8591
401 7ME 0.8590
402 6FZ 0.8588
403 5BT 0.8588
404 CKU 0.8587
405 27B 0.8586
406 DHK 0.8585
407 HHR 0.8584
408 DC5 0.8580
409 DQA 0.8578
410 M4E 0.8577
411 4RU 0.8575
412 HKD 0.8572
413 428 0.8567
414 363 0.8565
415 ABI 0.8564
416 P9T 0.8563
417 2M8 0.8562
418 EVA 0.8559
419 1A7 0.8557
420 3R6 0.8557
421 4NP 0.8554
422 GF4 0.8552
423 1CY 0.8549
424 8DA 0.8538
425 CH9 0.8536
426 UAN 0.8533
427 1Z8 0.8527
428 8MO 0.8521
429 LYL 0.8515
430 JXZ 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GIU; Ligand: L69; 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: 6giu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6GIU; Ligand: L69; 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: 6giu.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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