Receptor
PDB id Resolution Class Description Source Keywords
4A6H 1.45 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF SLM1-PH DOMAIN IN COMPLEX WITH INOSITOL-4-PHOSPHATE SACCHAROMYCES CEREVISIAE SIGNALING PROTEIN
Ref.: STRUCTURAL ANALYSES OF SLM1-PH DOMAIN DEMONSTRATE L BINDING IN THE NON-CANONICAL SITE PLOS ONE V. 7 36526 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:1582;
A:1583;
B:1582;
B:1583;
B:1584;
C:1582;
D:1582;
D:1583;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
I4D A:1584;
A:1585;
B:1585;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
260.136 C6 H13 O9 P [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4A6H 1.45 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF SLM1-PH DOMAIN IN COMPLEX WITH INOSITOL-4-PHOSPHATE SACCHAROMYCES CEREVISIAE SIGNALING PROTEIN
Ref.: STRUCTURAL ANALYSES OF SLM1-PH DOMAIN DEMONSTRATE L BINDING IN THE NON-CANONICAL SITE PLOS ONE V. 7 36526 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4A6H - I4D C6 H13 O9 P [C@H]1([C@....
2 4A6K - I4D C6 H13 O9 P [C@H]1([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4A6H - I4D C6 H13 O9 P [C@H]1([C@....
2 4A6K - I4D C6 H13 O9 P [C@H]1([C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4A6H - I4D C6 H13 O9 P [C@H]1([C@....
2 4A6K - I4D C6 H13 O9 P [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: I4D; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 I4D 1 1
2 2IP 0.782609 0.966667
3 ITP 0.730769 0.966667
4 IP2 0.653846 0.966667
5 LIP 0.571429 0.9
6 IPD 0.571429 0.9
7 I3S 0.566667 0.966667
8 I3P 0.566667 0.966667
9 I4P 0.538462 0.9
10 I0P 0.517241 0.933333
11 4IP 0.516129 0.933333
12 IHP 0.48 0.9
13 I6P 0.48 0.9
14 5IP 0.451613 0.9
15 I5P 0.451613 0.9
16 IP5 0.451613 0.9
17 5MY 0.451613 0.9
Similar Ligands (3D)
Ligand no: 1; Ligand: I4D; Similar ligands found: 342
No: Ligand Similarity coefficient
1 5NS 0.9361
2 KGK 0.9274
3 SG2 0.9243
4 G1P 0.9220
5 IBM 0.9201
6 BM3 0.9198
7 YO5 0.9175
8 GFP 0.9163
9 QMS 0.9153
10 X04 0.9149
11 L7T 0.9147
12 MQG 0.9139
13 M3Q 0.9129
14 LZ2 0.9125
15 X1P 0.9118
16 XFE 0.9117
17 F5C 0.9117
18 NBG 0.9113
19 NAG 0.9107
20 PMP 0.9098
21 GDL 0.9091
22 2CZ 0.9089
23 X0T 0.9075
24 KFH 0.9054
25 57O 0.9053
26 NGA 0.9048
27 68A 0.9047
28 790 0.9047
29 JTH 0.9046
30 EXD 0.9045
31 6HP 0.9042
32 0FK 0.9041
33 KJ5 0.9040
34 DNA 0.9039
35 S0G 0.9032
36 6DP 0.9029
37 4KL 0.9027
38 G6P 0.9025
39 LAO 0.9022
40 JR2 0.9015
41 GRX 0.9008
42 HBO 0.9008
43 2KA 0.8998
44 PLP 0.8994
45 IOS 0.8993
46 BG6 0.8993
47 NDG 0.8990
48 8XQ 0.8985
49 2O6 0.8984
50 54X 0.8982
51 CR1 0.8980
52 LP8 0.8979
53 LTM 0.8973
54 MAJ 0.8971
55 ARP 0.8971
56 NCV 0.8966
57 OX2 0.8965
58 4R1 0.8963
59 3RI 0.8950
60 1QV 0.8940
61 PH2 0.8940
62 SYA 0.8939
63 5OF 0.8937
64 NLA 0.8935
65 FDR 0.8931
66 BNX 0.8931
67 E7R 0.8925
68 GJP 0.8922
69 K68 0.8920
70 BGP 0.8919
71 APS 0.8917
72 505 0.8914
73 BGC 0.8911
74 M6D 0.8910
75 V1T 0.8908
76 ESI 0.8902
77 HHS 0.8902
78 UFO 0.8900
79 STT 0.8899
80 KYA 0.8894
81 2K8 0.8892
82 GZV 0.8890
83 KTW 0.8886
84 HHR 0.8885
85 CLZ 0.8885
86 K3Q 0.8881
87 PZP 0.8881
88 PXP 0.8881
89 PLP PMP 0.8881
90 8U3 0.8879
91 N2M 0.8877
92 7I2 0.8876
93 NPL 0.8872
94 UQ1 0.8872
95 A2G 0.8871
96 SBK 0.8866
97 MUR 0.8864
98 3Y7 0.8864
99 H5B 0.8862
100 KG1 0.8859
101 BBK 0.8852
102 T6Z 0.8847
103 2JK 0.8847
104 KED 0.8846
105 9GP 0.8845
106 CCV 0.8842
107 5V7 0.8837
108 EVF 0.8837
109 15N 0.8836
110 GLP 0.8836
111 GP1 0.8835
112 8GK 0.8835
113 8MO 0.8831
114 4RU 0.8829
115 OA3 0.8828
116 MAG 0.8828
117 15L 0.8826
118 M6P 0.8824
119 NBV 0.8823
120 JP2 0.8821
121 LOG 0.8821
122 PLR 0.8821
123 ZON 0.8820
124 5NE 0.8820
125 TSR 0.8819
126 5WU 0.8816
127 5RO 0.8816
128 8W9 0.8815
129 F52 0.8814
130 67Y 0.8813
131 E1K 0.8810
132 3LJ 0.8809
133 9H2 0.8808
134 8HC 0.8808
135 IL5 0.8808
136 ALN 0.8807
137 GNM 0.8802
138 BY5 0.8802
139 P0P 0.8801
140 BDP 0.8801
141 GCB 0.8800
142 IPT 0.8797
143 CGW 0.8794
144 GL1 0.8793
145 SKF 0.8791
146 BA5 0.8791
147 61M 0.8790
148 H4B 0.8788
149 I59 0.8786
150 CPW 0.8785
151 96R 0.8781
152 22L 0.8781
153 PFB 0.8780
154 ZYR 0.8779
155 DNF 0.8777
156 M5H 0.8776
157 HBI 0.8775
158 27B 0.8774
159 92P 0.8773
160 CIP 0.8771
161 JF1 0.8770
162 209 0.8767
163 HPT 0.8763
164 DJN 0.8763
165 3GC 0.8762
166 MP5 0.8761
167 L21 0.8761
168 THA 0.8760
169 IAC 0.8759
170 AY4 0.8757
171 GCU 0.8757
172 B4O 0.8754
173 S8A 0.8753
174 MQB 0.8752
175 GL6 0.8752
176 7MX 0.8750
177 7B3 0.8750
178 S3P 0.8749
179 NPA 0.8749
180 0JD 0.8746
181 6VD 0.8746
182 FWD 0.8744
183 4GP 0.8744
184 HKD 0.8743
185 4XV 0.8743
186 4ME 0.8743
187 AC2 0.8740
188 GC2 0.8734
189 H2B 0.8734
190 ALX 0.8732
191 HA5 0.8730
192 XQK 0.8728
193 PRF 0.8727
194 657 0.8727
195 PVQ 0.8725
196 OUB 0.8725
197 RP5 0.8725
198 S0E 0.8723
199 94E 0.8722
200 HSX 0.8722
201 JYT 0.8722
202 3DT 0.8721
203 537 0.8720
204 2FQ 0.8716
205 4OG 0.8716
206 EUE 0.8714
207 PVK 0.8713
208 S3C 0.8712
209 36E 0.8711
210 TRP 0.8711
211 L1Q 0.8709
212 THM 0.8709
213 9KH 0.8708
214 1F1 0.8708
215 0J5 0.8707
216 6J9 0.8705
217 0F9 0.8704
218 SLS 0.8702
219 QIF 0.8701
220 CLU 0.8701
221 0J4 0.8700
222 9ZE 0.8700
223 DTR 0.8699
224 ONR 0.8699
225 EVA 0.8696
226 512 0.8696
227 KLK 0.8695
228 2GQ 0.8695
229 LGC 0.8694
230 9BF 0.8693
231 ZZZ 0.8693
232 B56 0.8692
233 CHQ 0.8692
234 GO8 0.8691
235 1HN 0.8688
236 SKM 0.8688
237 ONZ 0.8686
238 SNG 0.8683
239 3XR 0.8679
240 FF2 0.8679
241 ESP 0.8679
242 ZME 0.8676
243 DC5 0.8676
244 H33 0.8675
245 RH1 0.8674
246 MXD 0.8673
247 N1E 0.8671
248 327 0.8671
249 PTS 0.8670
250 DHK 0.8669
251 N3W 0.8669
252 NVU 0.8665
253 ZIQ 0.8663
254 PYU 0.8663
255 EGR 0.8662
256 NQH 0.8661
257 K97 0.8661
258 MIG 0.8660
259 EMZ 0.8659
260 OSB 0.8659
261 GF4 0.8657
262 JF2 0.8655
263 774 0.8653
264 IWD 0.8652
265 CWD 0.8652
266 BPY 0.8650
267 S7G 0.8649
268 GTR 0.8649
269 BWD 0.8648
270 IOP 0.8642
271 E1T 0.8641
272 4B0 0.8640
273 ABF 0.8640
274 5TY 0.8640
275 3D1 0.8637
276 F6P 0.8636
277 0HO 0.8635
278 YTX 0.8633
279 EYA 0.8632
280 EYV 0.8630
281 W81 0.8629
282 BK9 0.8628
283 SRO 0.8627
284 3J8 0.8626
285 MNS 0.8623
286 JB8 0.8622
287 TIY 0.8621
288 KF5 0.8620
289 6FZ 0.8620
290 QQQ 0.8620
291 9UL 0.8619
292 HJB 0.8617
293 BIO 0.8613
294 KMY 0.8611
295 9R5 0.8610
296 ZEC 0.8608
297 PQ0 0.8607
298 PA5 0.8605
299 M4E 0.8605
300 MCY 0.8600
301 MOK 0.8600
302 CTE 0.8599
303 A5P 0.8596
304 2LY 0.8595
305 EYM 0.8592
306 0DN 0.8590
307 JDN 0.8588
308 S7B 0.8586
309 VYM 0.8582
310 R1P 0.8581
311 AA 0.8580
312 DHY 0.8580
313 DBQ 0.8579
314 BGN 0.8578
315 30G 0.8578
316 BQ2 0.8577
317 B86 0.8577
318 GWM 0.8577
319 0FN 0.8575
320 12T 0.8566
321 Y0V 0.8566
322 BB4 0.8566
323 ANF 0.8564
324 89J 0.8561
325 5AD 0.8558
326 5GT 0.8554
327 6QF 0.8554
328 3C4 0.8552
329 NFM 0.8552
330 3VX 0.8550
331 NIY 0.8548
332 AMR 0.8545
333 N91 0.8544
334 LDR 0.8544
335 EV2 0.8541
336 CP7 0.8541
337 2HC 0.8540
338 ANC 0.8540
339 MFZ 0.8539
340 7ME 0.8536
341 1QP 0.8526
342 ICB 0.8521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4A6H; Ligand: I4D; 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: 4a6h.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4A6H; Ligand: I4D; 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: 4a6h.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4A6H; Ligand: I4D; 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: 4a6h.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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