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Receptor
PDB id Resolution Class Description Source Keywords
2P0D 1.81 Å NON-ENZYME: BINDING ARHGAP9 PH DOMAIN IN COMPLEX WITH INS(1,4,5)P3 HOMO SAPIENS PROTEIN-PHOSPHOINOSITIDE COMPLEX PLECKSTRIN HOMOLOGY DOMAINBINDING PROTEIN
Ref.: NON-CANONICAL INTERACTION OF PHOSPHOINOSITIDES WITH PLECKSTRIN HOMOLOGY DOMAINS OF TIAM1 AND ARHGAP9. J.BIOL.CHEM. V. 282 13864 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3P A:800;
Valid;
none;
submit data
420.096 C6 H15 O15 P3 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P0D 1.81 Å NON-ENZYME: BINDING ARHGAP9 PH DOMAIN IN COMPLEX WITH INS(1,4,5)P3 HOMO SAPIENS PROTEIN-PHOSPHOINOSITIDE COMPLEX PLECKSTRIN HOMOLOGY DOMAINBINDING PROTEIN
Ref.: NON-CANONICAL INTERACTION OF PHOSPHOINOSITIDES WITH PLECKSTRIN HOMOLOGY DOMAINS OF TIAM1 AND ARHGAP9. J.BIOL.CHEM. V. 282 13864 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2P0H - I3S C6 H15 O15 P3 [C@H]1([C@....
2 2P0D - I3P C6 H15 O15 P3 [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 391 families.
1 2P0H - I3S C6 H15 O15 P3 [C@H]1([C@....
2 2P0D - I3P C6 H15 O15 P3 [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 298 families.
1 2P0H - I3S C6 H15 O15 P3 [C@H]1([C@....
2 2P0D - I3P C6 H15 O15 P3 [C@H]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I3P; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3P 1 1
2 I3S 1 1
3 4IP 0.724138 0.966667
4 2IP 0.692308 1
5 I0P 0.678571 0.966667
6 ITP 0.655172 1
7 I4P 0.653846 0.933333
8 IP2 0.642857 1
9 5IP 0.6 0.933333
10 IP5 0.6 0.933333
11 I5P 0.6 0.933333
12 5MY 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 IHP 0.481481 0.933333
16 I6P 0.481481 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P0D; Ligand: I3P; Similar sites found with APoc: 141
This union binding pocket(no: 1) in the query (biounit: 2p0d.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 3GXW SIN None
2 3CYQ AMU None
3 1LSS NAD None
4 5ABX MGP None
5 1JBW ACQ None
6 1C4Q GLA GAL BGC None
7 5MTE BB2 None
8 3WB0 FEG None
9 1PFK FBP None
10 2X3F APC None
11 3H11 ALA ILE GLU THR ASA 1.55039
12 4BUY F37 1.55039
13 5NWD 9C8 1.55039
14 1EJH M7G 2.32558
15 2V8W MGO 2.32558
16 5IBP ACE ASP GLU VAL ASP 0QE 2.32558
17 2W97 MGO 2.32558
18 3DPC HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 2.32558
19 1S17 GNR 2.32558
20 4XB2 HSE 2.32558
21 3M6P BB2 2.32558
22 3LL9 ADP 2.32558
23 1WKW GTA 2.32558
24 3QO8 SSA 2.32558
25 4XB2 NDP 2.32558
26 1IPC MGP 2.32558
27 5F1R 42O 3.10078
28 1EBF NAD 3.10078
29 1NYT NAP 3.10078
30 4AR8 IP8 GLY PRO ALA 3.10078
31 1V7C HEY 3.10078
32 2TPL HPP 3.87597
33 6F3N NAD 3.87597
34 6F3N ADN 3.87597
35 6ALW BNV 3.87597
36 2Q7V FAD 3.87597
37 3E3U NVC 3.87597
38 1AMU AMP 3.87597
39 2F1K NAP 3.87597
40 1R6D NAD 3.87597
41 6GNC FAD 3.87597
42 2VCN ISZ 3.87597
43 4RLQ 3SK 4.65116
44 4BFW ZVW 4.65116
45 1WPY BTN 4.65116
46 5AHO TLA 4.65116
47 4YDQ HFG 4.65116
48 4YDQ ANP 4.65116
49 1NNU TCT 4.65116
50 1NNU NAD 4.65116
51 1VB3 KPA 4.65116
52 1WN3 HXC 4.65116
53 3ZNN FAD 4.65116
54 3ZNN 4WL 4.65116
55 5NNA BZM 4.65116
56 4GXQ ATP 4.65116
57 3WGT QSC 4.65116
58 3WGT FAD 4.65116
59 5AA4 6X4 4.65116
60 4CS4 ANP 4.65116
61 4CS4 AXZ 4.65116
62 4UP3 NDP 4.65116
63 4ZLA BES 4.65116
64 4X1Z FUC GAL NDG 4.65116
65 4XTX 590 4.65116
66 3H8G BES 4.65116
67 3JSX FAD 4.65116
68 1UP7 NAD 4.65116
69 1NBU PH2 5.04202
70 5W19 9TD 5.42636
71 1WLE SRP 5.42636
72 5LX9 OLB 5.42636
73 5NTH BB2 5.42636
74 2DVZ GLU 5.42636
75 5GZ6 NDP 5.42636
76 5GZ6 7C3 5.42636
77 5UY8 AMZ 5.42636
78 5UY8 8UM 5.42636
79 3ITJ FAD 5.42636
80 1G27 BB1 5.42636
81 1AJ8 CIT 5.42636
82 1UWK URO 5.42636
83 1UWK NAD 5.42636
84 4MFL MFK 5.42636
85 6ENO BJ8 5.42636
86 5JFL NAD 5.42636
87 1VAY AZA 5.42636
88 5ABU GTG 5.71429
89 5T46 MGP 6.06061
90 1HXD BTN 6.20155
91 5K5M 68T 6.20155
92 1SQL GUN 6.20155
93 1V35 NAI 6.20155
94 5LWY OLB 6.54206
95 5BXV MGP 6.81818
96 5DK4 ATP 6.97674
97 3VP6 HLD 6.97674
98 4UEC MGT 7.69231
99 3EJR HN4 7.75194
100 5GSN FAD 7.75194
101 5GSN NAP 7.75194
102 4WW8 VD9 7.75194
103 5T48 MGP 7.8125
104 5C1P ADP 8.52713
105 5NTD BES 8.52713
106 4EOX 0S5 8.52713
107 3NDJ JHZ 8.52713
108 3NDJ SAH 8.52713
109 1C96 FLC 8.52713
110 3C2O NTM 8.52713
111 4X9X OLA 9.30233
112 5M67 NAD 9.30233
113 5M67 3D1 9.30233
114 5M67 ADE 9.30233
115 2D1S SLU 9.30233
116 1KNR FAD 9.30233
117 4DR9 BB2 9.30233
118 3COW 52H 9.30233
119 1N7G GDR 10.0775
120 2GRU EXO 10.0775
121 4JBI NDP 10.0775
122 2TPI ILE VAL 10.3448
123 3NJ4 NAD 10.8527
124 3NJ4 AFX 10.8527
125 1VPE ANP 10.8527
126 5GQX GLC GLC GLC GLC GLC GLC GLC 10.8527
127 1RLZ NAD 10.8527
128 1GPM CIT 10.8527
129 1RVX SIA GAL NAG 10.8527
130 5JCA NDP 12.4031
131 2IVF MGD 12.4031
132 2PZM UDP 12.4031
133 2PZM NAD 12.4031
134 4TM3 FAD 14.7287
135 1RJ9 GCP 15.1316
136 3CW9 AMP 15.5039
137 4WAS COO 19.3798
138 4WAS NAP 19.3798
139 2PQ9 GG9 20.155
140 4ZUL UN1 25.5814
141 6FC1 MGP 28.6822
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