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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 1BD0 | - | IN5 | C10 H18 N2 O8 P2 | Cc1c(c(c(c.... |
2 | 1XQK | - | PMH | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
3 | 1XQL | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
4 | 1FTX | - | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
5 | 2SFP | Ki = 20 mM | PPI | C3 H6 O2 | CCC(=O)O |
6 | 1L6G | - | PDD | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
7 | 1NIU | Ki = 0.08 uM | DCS | C11 H16 N3 O7 P | Cc1c(c(c(c.... |
8 | 1L6F | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1BD0 | - | IN5 | C10 H18 N2 O8 P2 | Cc1c(c(c(c.... |
2 | 1XQK | - | PMH | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
3 | 1XQL | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
4 | 1FTX | - | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
5 | 2SFP | Ki = 20 mM | PPI | C3 H6 O2 | CCC(=O)O |
6 | 1L6G | - | PDD | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
7 | 1NIU | Ki = 0.08 uM | DCS | C11 H16 N3 O7 P | Cc1c(c(c(c.... |
8 | 1L6F | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
9 | 1VFT | - | DCS | C11 H16 N3 O7 P | Cc1c(c(c(c.... |
10 | 2VD9 | - | EPC | C10 H16 N2 O8 P2 | Cc1c(c(c(c.... |
11 | 6SCZ | - | OJQ | C11 H15 N3 O7 P | Cc1c(c(c(c.... |
12 | 3E5P | - | PPI | C3 H6 O2 | CCC(=O)O |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLV | 1.0261 |
2 | J3K | 1.0000 |
3 | NMU | 1.0000 |
4 | MGX | 1.0000 |
5 | NHY | 1.0000 |
6 | AGU | 1.0000 |
7 | 2A3 | 1.0000 |
8 | HAE | 1.0000 |
9 | 1BP | 1.0000 |
10 | 2A1 | 1.0000 |
11 | 61G | 1.0000 |
12 | TSZ | 1.0000 |
13 | F50 | 1.0000 |
14 | ATO | 1.0000 |
15 | HVB | 1.0000 |
16 | AKR | 1.0000 |
17 | GLY | 1.0000 |
18 | NIE | 1.0000 |
19 | F3V | 1.0000 |
20 | GOA | 1.0000 |
21 | ALA | 0.9988 |
22 | PXO | 0.9906 |
23 | CP2 | 0.9887 |
24 | BRP | 0.9886 |
25 | BU4 | 0.9808 |
26 | AOA | 0.9784 |
27 | GOL | 0.9761 |
28 | GXV | 0.9761 |
29 | BAL | 0.9749 |
30 | TCV | 0.9745 |
31 | 3OH | 0.9741 |
32 | PYR | 0.9734 |
33 | PYM | 0.9729 |
34 | 2OP | 0.9725 |
35 | BUO | 0.9721 |
36 | OXM | 0.9720 |
37 | LAC | 0.9715 |
38 | OXL | 0.9705 |
39 | NIS | 0.9697 |
40 | SAR | 0.9694 |
41 | EGD | 0.9688 |
42 | HBS | 0.9670 |
43 | HGY | 0.9664 |
44 | 9A4 | 0.9663 |
45 | NAK | 0.9662 |
46 | 2AI | 0.9645 |
47 | HBR | 0.9640 |
48 | BMD | 0.9636 |
49 | OXD | 0.9626 |
50 | DAL | 0.9624 |
51 | 3TR | 0.9623 |
52 | 6SP | 0.9617 |
53 | BUQ | 0.9611 |
54 | 4MZ | 0.9607 |
55 | 1MZ | 0.9604 |
56 | 1CB | 0.9602 |
57 | HOW | 0.9600 |
58 | MEU | 0.9599 |
59 | MR3 | 0.9593 |
60 | 5MP | 0.9590 |
61 | 2MZ | 0.9590 |
62 | 3GR | 0.9583 |
63 | ALQ | 0.9566 |
64 | MTG | 0.9559 |
65 | GBL | 0.9557 |
66 | BAQ | 0.9554 |
67 | 3MT | 0.9550 |
68 | 5KX | 0.9545 |
69 | MZY | 0.9537 |
70 | ABA | 0.9536 |
71 | BEF | 0.9535 |
72 | EDO | 0.9524 |
73 | OSM | 0.9511 |
74 | CYS | 0.9510 |
75 | JZ6 | 0.9503 |
76 | 2PO | 0.9503 |
77 | CRD | 0.9503 |
78 | AF3 | 0.9502 |
79 | 2HA | 0.9502 |
80 | ACT | 0.9500 |
81 | IPA | 0.9496 |
82 | BUB | 0.9490 |
83 | MMU | 0.9490 |
84 | 78T | 0.9489 |
85 | 5Y9 | 0.9488 |
86 | ACM | 0.9483 |
87 | ATQ | 0.9477 |
88 | NOE | 0.9471 |
89 | SEY | 0.9461 |
90 | 3ZS | 0.9455 |
91 | AMT | 0.9444 |
92 | AXO | 0.9443 |
93 | SLP | 0.9437 |
94 | 3CL | 0.9435 |
95 | BYZ | 0.9425 |
96 | ES3 | 0.9424 |
97 | ALF | 0.9405 |
98 | BRJ | 0.9403 |
99 | XAP | 0.9399 |
100 | 13D | 0.9381 |
101 | 3BB | 0.9379 |
102 | QPT | 0.9378 |
103 | PYZ | 0.9373 |
104 | ITU | 0.9370 |
105 | TF4 | 0.9363 |
106 | 9A7 | 0.9362 |
107 | CNH | 0.9353 |
108 | ETF | 0.9350 |
109 | BXO | 0.9312 |
110 | TRI | 0.9297 |
111 | TAN | 0.9294 |
112 | TB0 | 0.9290 |
113 | PZO | 0.9280 |
114 | D2P | 0.9277 |
115 | 3BR | 0.9273 |
116 | HSW | 0.9266 |
117 | VSO | 0.9261 |
118 | MZ0 | 0.9250 |
119 | HUH | 0.9250 |
120 | 0CL | 0.9241 |
121 | MSF | 0.9237 |
122 | THR | 0.9231 |
123 | IMD | 0.9230 |
124 | KCS | 0.9229 |
125 | DE2 | 0.9229 |
126 | SER | 0.9216 |
127 | FW5 | 0.9192 |
128 | 03S | 0.9191 |
129 | 2HP | 0.9185 |
130 | MMQ | 0.9180 |
131 | NVI | 0.9165 |
132 | MTD | 0.9158 |
133 | PRI | 0.9153 |
134 | DGY | 0.9151 |
135 | 03W | 0.9151 |
136 | HYN | 0.9143 |
137 | GB | 0.9134 |
138 | TMO | 0.9131 |
139 | 1AC | 0.9129 |
140 | 7EX | 0.9128 |
141 | DSN | 0.9126 |
142 | FUS | 0.9120 |
143 | 2RA | 0.9119 |
144 | XIX | 0.9115 |
145 | FJO | 0.9113 |
146 | BVG | 0.9110 |
147 | CEJ | 0.9108 |
148 | 3PY | 0.9105 |
149 | 0PY | 0.9097 |
150 | DXX | 0.9095 |
151 | KG7 | 0.9095 |
152 | A3B | 0.9095 |
153 | DBB | 0.9095 |
154 | HIU | 0.9094 |
155 | FPO | 0.9092 |
156 | BVC | 0.9085 |
157 | DCE | 0.9082 |
158 | MB3 | 0.9078 |
159 | HUI | 0.9077 |
160 | 2EZ | 0.9075 |
161 | B20 | 0.9063 |
162 | MCH | 0.9060 |
163 | TBU | 0.9060 |
164 | CHT | 0.9056 |
165 | L60 | 0.9043 |
166 | A2Q | 0.9043 |
167 | 1SP | 0.9040 |
168 | BNZ | 0.9037 |
169 | 25T | 0.9030 |
170 | CYH | 0.9024 |
171 | CXL | 0.9024 |
172 | PHZ | 0.9023 |
173 | P1R | 0.9020 |
174 | C2N | 0.9018 |
175 | VN4 | 0.9017 |
176 | 24T | 0.9016 |
177 | 8X3 | 0.9013 |
178 | IPH | 0.9012 |
179 | 2PA | 0.9010 |
180 | SGL | 0.9007 |
181 | HAI | 0.9007 |
182 | ETM | 0.9005 |
183 | PUT | 0.9002 |
184 | XPO | 0.9000 |
185 | BF4 | 0.8993 |
186 | BTL | 0.8993 |
187 | PO4 | 0.8990 |
188 | HSL | 0.8989 |
189 | 4AP | 0.8989 |
190 | ETX | 0.8978 |
191 | C5J | 0.8978 |
192 | MBN | 0.8969 |
193 | 4AX | 0.8968 |
194 | HVQ | 0.8963 |
195 | ISU | 0.8959 |
196 | 2IM | 0.8952 |
197 | DSS | 0.8943 |
198 | WO6 | 0.8940 |
199 | TAU | 0.8937 |
200 | DCY | 0.8937 |
201 | DTI | 0.8936 |
202 | KSW | 0.8934 |
203 | E60 | 0.8928 |
204 | MMZ | 0.8926 |
205 | 93B | 0.8924 |
206 | 1DH | 0.8922 |
207 | MLA | 0.8919 |
208 | 3AP | 0.8918 |
209 | V1L | 0.8915 |
210 | HV2 | 0.8914 |
211 | 9XN | 0.8914 |
212 | MLI | 0.8911 |
213 | 9PO | 0.8910 |
214 | TAY | 0.8905 |
215 | LGA | 0.8902 |
216 | 2HE | 0.8902 |
217 | DMG | 0.8896 |
218 | HVK | 0.8894 |
219 | 2AP | 0.8894 |
220 | 8FH | 0.8893 |
221 | 3HL | 0.8893 |
222 | 8CL | 0.8890 |
223 | MLM | 0.8886 |
224 | 3HR | 0.8878 |
225 | COM | 0.8877 |
226 | HLT | 0.8875 |
227 | HRZ | 0.8871 |
228 | PPF | 0.8869 |
229 | POA | 0.8869 |
230 | GXE | 0.8862 |
231 | WOT | 0.8847 |
232 | HHN | 0.8836 |
233 | PIH | 0.8825 |
234 | ART | 0.8810 |
235 | 9SB | 0.8802 |
236 | TTO | 0.8799 |
237 | P7I | 0.8797 |
238 | DMI | 0.8793 |
239 | HGW | 0.8738 |
240 | PEJ | 0.8722 |
241 | EFS | 0.8662 |
242 | P2D | 0.8654 |
243 | 280 | 0.8608 |
244 | 3ZQ | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 1niu.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1niu.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |