-->
Receptor
PDB id Resolution Class Description Source Keywords
4G28 1.63 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CALCIUM-CALMODULIN COMPLEXED WITH THE CALMODULIN BINDING DOM SMALL CONDUCTANCE POTASSIUM CHANNEL SPLICE VARIANT AND EBIO RATTUS NORVEGICUS PROTEIN-PROTEIN COMPLEX EF HAND METAL BINDING PROTEIN METTRANSPORT-CALCIUM BINDING PROTEIN COMPLEX
Ref.: IDENTIFICATION OF THE FUNCTIONAL BINDING POCKET FOR COMPOUNDS TARGETING SMALL-CONDUCTANCE CA(2+)-ACTIVA POTASSIUM CHANNELS. NAT COMMUN V. 3 1021 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0W8 R:1006;
Valid;
none;
submit data
162.188 C9 H10 N2 O CCN1c...
CA R:1001;
R:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GOL R:1003;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 B:501;
R:1004;
R:1005;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5V03 1.58 Å NON-ENZYME: TRANSCRIPT_TRANSLATE A POSITIVE ALLOSTERIC MODULATOR BINDING POCKET IN SK2 ION CH SHARED BY RILUZOLE AND CYPPA HOMO SAPIENS CALCIUM-ACTIVATED ION CHANNELS ACTIVATOR CALMODULIN TRANSPROTEIN-METAL BINDING PROTEIN COMPLEX
Ref.: AN INTRACELLULAR ALLOSTERIC MODULATOR BINDING POCKE ION CHANNELS IS SHARED BY MULTIPLE CHEMOTYPES. STRUCTURE V. 26 533 2018
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 4J9Z - 1KP C8 H4 Cl2 N2 O2 c1cc(c(c2c....
2 5V03 - 658 C15 H14 Cl N5 Cc1cc(n(n1....
3 5WC5 - AJV C8 H5 F N2 O2 C1=CC2=C(C....
4 4G28 - 0W8 C9 H10 N2 O CCN1c2cccc....
5 5V02 - 657 C8 H5 F3 N2 O S c1cc2c(cc1....
6 5WBX - AJY C9 H7 Br N2 O2 Cc1cc2c(cc....
7 4G27 - PHU C7 H8 N2 O c1ccc(cc1)....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4J9Z - 1KP C8 H4 Cl2 N2 O2 c1cc(c(c2c....
2 5V03 - 658 C15 H14 Cl N5 Cc1cc(n(n1....
3 5WC5 - AJV C8 H5 F N2 O2 C1=CC2=C(C....
4 4G28 - 0W8 C9 H10 N2 O CCN1c2cccc....
5 5V02 - 657 C8 H5 F3 N2 O S c1cc2c(cc1....
6 5WBX - AJY C9 H7 Br N2 O2 Cc1cc2c(cc....
7 4G27 - PHU C7 H8 N2 O c1ccc(cc1)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4J9Z - 1KP C8 H4 Cl2 N2 O2 c1cc(c(c2c....
2 5V03 - 658 C15 H14 Cl N5 Cc1cc(n(n1....
3 5WC5 - AJV C8 H5 F N2 O2 C1=CC2=C(C....
4 4G28 - 0W8 C9 H10 N2 O CCN1c2cccc....
5 5V02 - 657 C8 H5 F3 N2 O S c1cc2c(cc1....
6 5WBX - AJY C9 H7 Br N2 O2 Cc1cc2c(cc....
7 4G27 - PHU C7 H8 N2 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0W8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0W8 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5V03; Ligand: 658; Similar sites found with APoc: 177
This union binding pocket(no: 1) in the query (biounit: 5v03.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5TVI MYR None
2 5XJ7 87O None
3 5ET3 60C None
4 2ALG DAO None
5 5IXK 6EW None
6 1MID LAP None
7 4F4S EFO None
8 4XCP PLM None
9 3AI3 SOE None
10 1HBK MYR None
11 6CB2 OLC 1.34228
12 4OHU 2TK 2.01342
13 4OHU NAD 2.01342
14 4XU6 TDA 2.68456
15 3AQT RCO 2.94118
16 3OF1 CMP 3.3557
17 2CNT COA 3.92157
18 2VWA PTY 3.9604
19 1XRO LEU 4.02685
20 4NAT ADP 4.02685
21 4NAT 2W5 4.02685
22 2VZZ SCA 4.02685
23 5CSD ACD 4.69799
24 1KSK URA 4.69799
25 4F06 PHB 4.69799
26 4M4Q 21A 4.69799
27 5OVV ACE ILE GLU SER THR GLU ILE 4.87805
28 2Q4W FAD 4.90196
29 1MT1 AG2 5.30973
30 1N13 AG2 5.30973
31 2QQC AG2 5.35714
32 3ND6 ATP 5.36913
33 6BR8 PGV 5.36913
34 5V4R MGT 5.36913
35 3TKY N7I 5.36913
36 4WGF HX2 5.36913
37 1M48 FRG 5.88235
38 5NTP 98E 5.88235
39 5XXH E0D 5.88235
40 5I8F ML1 5.88235
41 6ARJ SAH 6.04027
42 6A0S NDP 6.71141
43 4MRP GSH 6.71141
44 2ET1 GLV 6.71141
45 4K7O EKZ 6.71141
46 1Q7E MET 6.71141
47 5O0B 9FE 6.71141
48 3HKW IX6 6.86275
49 4O4Z N2O 6.86275
50 4P8K FAD 6.86275
51 4P8K 38C 6.86275
52 4RC8 STE 6.86275
53 5B09 4MX 6.86275
54 5AZC PGT 6.86275
55 4LSJ LSJ 6.86275
56 2Q2Y MKR 6.86275
57 2Q2Y ADP 6.86275
58 4P6X HCY 6.86275
59 2Z7I 742 6.86275
60 4OGQ 7PH 6.89655
61 3S5W ONH 7.38255
62 1BGQ RDC 7.38255
63 4IA6 EIC 7.38255
64 5L7G 6QE 7.38255
65 1PZO CBT 7.60456
66 5M37 9SZ 7.84314
67 5OSW DIU 7.84314
68 3R9C ECL 7.84314
69 5V3Y 5V8 8.05369
70 4PGK Y69 8.05369
71 3E70 GDP 8.05369
72 3ITA AIC 8.05369
73 3R9V DXC 8.05369
74 1YYE 196 8.72483
75 2EVL GAL SPH EIC 8.72483
76 3OLL EST 8.72483
77 4JLS 3ZE 9.39597
78 4TWL ASC 9.39597
79 4MGA 27L 9.80392
80 1F0X FAD 9.80392
81 5HYR EST 9.80392
82 4TUZ 36J 9.80392
83 4AUT FAD 9.80392
84 5WGQ EST 9.80392
85 3UUD EST 9.80392
86 5DXE EST 9.80392
87 4MG8 27J 9.80392
88 5WGD EST 9.80392
89 4MG9 27K 9.80392
90 6ADI 9UO 10.0671
91 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 10.7383
92 4O4K 2PK 10.7383
93 3EYK EYK 10.7843
94 1TMX HGX 10.7843
95 3SP6 IL2 10.7843
96 1FCH TYR GLN SER LYS LEU 10.7843
97 5K21 6QF 10.7843
98 1K7L 544 10.7843
99 3W5N RAM 11.4094
100 2HAW 2PN 11.4094
101 2OBD 2OB 11.7647
102 2FOI JPA 11.7647
103 5CX8 TG6 11.7647
104 4YDQ HFG 11.7647
105 4YDQ ANP 11.7647
106 3T3Z 9PL 11.7647
107 2P69 PLP 12.0805
108 3UXM 0DN 12.7451
109 2FV5 541 12.7451
110 3G4Q MCH 12.7451
111 5IF4 6AK 12.7451
112 2HZL PYR 12.7451
113 2O1V ADP 12.7451
114 2BHW NEX 12.7517
115 2BCG GER 13.4228
116 1XVB BHL 13.4228
117 5I8G 69E 13.4228
118 5AE2 FYC 13.7255
119 4RYV ZEA 13.7255
120 5AE2 FAD 13.7255
121 2GWH PCI 14.094
122 5IUY BOG 14.094
123 5K53 STE 14.094
124 5OCA 9QZ 14.2857
125 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 14.7059
126 1WUU ANP 14.7651
127 2DYR PGV 15.2542
128 5Z84 PGV 15.2542
129 2DYS PGV 15.2542
130 5ZCO PGV 15.2542
131 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 15.4362
132 5NM7 GLY 15.4362
133 2JC9 ADN 15.4362
134 1UC2 SUC 15.4362
135 1UBY DMA 15.6863
136 2WOR 2AN 16
137 3LN0 52B 16.1074
138 3G9E RO7 16.6667
139 1QVJ RP5 16.6667
140 5B47 PYR 16.6667
141 5B47 TPP 16.6667
142 3H0A D30 16.6667
143 5O22 C3R 16.7785
144 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 17
145 3SCM LGN 17.1717
146 5EW9 5VC 17.4497
147 5NLM IOS 17.4497
148 6BJO DUY 17.6
149 1XQP 8HG 17.6471
150 3RMK BML 18.0723
151 1VGV UD1 18.1208
152 3V99 ACD 18.1208
153 4K2G 1OQ 18.7919
154 6BMS PLM 19.4631
155 5K52 OCD 19.6078
156 3PVT 3HC 19.6078
157 4OIV XX9 20.5882
158 3RUU 37G 20.5882
159 5C1M OLC 20.5882
160 4E2J MOF 20.8054
161 1T0S BML 21.5686
162 4RW3 PLM 21.5686
163 3BEJ MUF 21.5686
164 5LX9 OLB 22.1477
165 5LWY OLB 22.1477
166 5EK3 5PK 22.549
167 3BGD PM6 22.549
168 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 23.5294
169 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 23.5294
170 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 23.5294
171 4ZBR DIF 25.4902
172 4ZBR NPS 25.4902
173 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 26.4706
174 3KO0 TFP 26.7327
175 5LPA 71R 31.3725
176 5LPA ATP 31.3725
177 3W54 RNB 31.3725
APoc FAQ
Feedback