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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 4 families. | |||||
1 | 4C6H | - | HE2 | C6 H14 O | CCCCCCO |
2 | 1K6E | - | 1BP | C3 H7 Br O | C[C@H](CBr.... |
3 | 2BFN | - | D2P | C3 H6 Cl2 O | C([C@@H](C.... |
4 | 1G42 | Ki = 0.97 mM | CP2 | C3 H6 Cl2 | C[C@@H](CC.... |
5 | 1G5F | Ki = 2.31 mM | DCE | C2 H4 Cl2 | C(CCl)Cl |
6 | 1K63 | - | BRP | C3 H5 Br O | C=C(CO)Br |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4F5Z | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
2 | 4C6H | - | HE2 | C6 H14 O | CCCCCCO |
3 | 2PSJ | Ki ~ 20 nM | CEI | C25 H21 N3 O3 | c1ccc(cc1).... |
4 | 1K6E | - | 1BP | C3 H7 Br O | C[C@H](CBr.... |
5 | 2BFN | - | D2P | C3 H6 Cl2 O | C([C@@H](C.... |
6 | 1G42 | Ki = 0.97 mM | CP2 | C3 H6 Cl2 | C[C@@H](CC.... |
7 | 1G5F | Ki = 2.31 mM | DCE | C2 H4 Cl2 | C(CCl)Cl |
8 | 1K63 | - | BRP | C3 H5 Br O | C=C(CO)Br |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ATO | 1.0000 |
2 | NMU | 1.0000 |
3 | FAH | 1.0000 |
4 | PPI | 1.0000 |
5 | GLY | 1.0000 |
6 | R3W | 1.0000 |
7 | F3V | 0.9978 |
8 | AKR | 0.9977 |
9 | BXA | 0.9971 |
10 | HVB | 0.9957 |
11 | TCV | 0.9952 |
12 | MGX | 0.9938 |
13 | GOA | 0.9910 |
14 | 61G | 0.9890 |
15 | GLV | 0.9885 |
16 | CP2 | 0.9884 |
17 | TSZ | 0.9877 |
18 | 2A3 | 0.9866 |
19 | NIE | 0.9857 |
20 | HAE | 0.9839 |
21 | J3K | 0.9837 |
22 | AGU | 0.9834 |
23 | F50 | 0.9830 |
24 | NHY | 0.9813 |
25 | 2A1 | 0.9811 |
26 | BRP | 0.9794 |
27 | PXO | 0.9589 |
28 | BUA | 0.9586 |
29 | BU4 | 0.9575 |
30 | ALA | 0.9529 |
31 | MEU | 0.9508 |
32 | BMD | 0.9506 |
33 | MMU | 0.9493 |
34 | BAL | 0.9470 |
35 | SAR | 0.9441 |
36 | GXV | 0.9434 |
37 | GOL | 0.9434 |
38 | BUB | 0.9432 |
39 | AOA | 0.9416 |
40 | ITU | 0.9408 |
41 | CYS | 0.9404 |
42 | PYR | 0.9399 |
43 | 3OH | 0.9396 |
44 | EGD | 0.9361 |
45 | SEY | 0.9361 |
46 | 2HA | 0.9361 |
47 | AF3 | 0.9359 |
48 | BYZ | 0.9357 |
49 | SLP | 0.9337 |
50 | PYZ | 0.9332 |
51 | 3MT | 0.9327 |
52 | BUO | 0.9324 |
53 | 3BB | 0.9319 |
54 | 5MP | 0.9318 |
55 | JZ6 | 0.9312 |
56 | PYM | 0.9312 |
57 | 03S | 0.9311 |
58 | AMT | 0.9303 |
59 | D2P | 0.9302 |
60 | 4MZ | 0.9298 |
61 | ES3 | 0.9297 |
62 | CRD | 0.9296 |
63 | 9A4 | 0.9283 |
64 | 5KX | 0.9282 |
65 | MSF | 0.9278 |
66 | ACM | 0.9268 |
67 | HBS | 0.9262 |
68 | 3GR | 0.9260 |
69 | OXM | 0.9260 |
70 | QPT | 0.9253 |
71 | MTG | 0.9248 |
72 | ABA | 0.9247 |
73 | OXL | 0.9245 |
74 | OSM | 0.9243 |
75 | ISU | 0.9242 |
76 | 5Y9 | 0.9242 |
77 | ACT | 0.9241 |
78 | 3CL | 0.9240 |
79 | ALF | 0.9235 |
80 | DCE | 0.9226 |
81 | BRJ | 0.9217 |
82 | LAC | 0.9216 |
83 | 2MZ | 0.9211 |
84 | DAL | 0.9201 |
85 | MR3 | 0.9201 |
86 | 1MZ | 0.9199 |
87 | ETF | 0.9196 |
88 | HGY | 0.9196 |
89 | CNH | 0.9190 |
90 | ALQ | 0.9189 |
91 | TF4 | 0.9184 |
92 | 9XN | 0.9179 |
93 | HBR | 0.9176 |
94 | OXD | 0.9168 |
95 | AXO | 0.9161 |
96 | TMO | 0.9158 |
97 | TBU | 0.9152 |
98 | EDO | 0.9151 |
99 | DSS | 0.9148 |
100 | MTD | 0.9140 |
101 | KCS | 0.9140 |
102 | HSW | 0.9133 |
103 | HOW | 0.9130 |
104 | NAK | 0.9122 |
105 | XAP | 0.9118 |
106 | VSO | 0.9112 |
107 | FPO | 0.9109 |
108 | SGL | 0.9109 |
109 | 3TR | 0.9108 |
110 | 2OP | 0.9108 |
111 | 1CB | 0.9102 |
112 | WO6 | 0.9102 |
113 | BEF | 0.9099 |
114 | 78T | 0.9098 |
115 | 2PO | 0.9098 |
116 | ATQ | 0.9097 |
117 | 2AI | 0.9092 |
118 | MCH | 0.9088 |
119 | NIS | 0.9087 |
120 | 6SP | 0.9062 |
121 | TAN | 0.9059 |
122 | 3BR | 0.9055 |
123 | MMQ | 0.9047 |
124 | IPA | 0.9045 |
125 | TB0 | 0.9039 |
126 | CB0 | 0.9029 |
127 | CHT | 0.9024 |
128 | DE2 | 0.9018 |
129 | 0CL | 0.9009 |
130 | GBL | 0.9001 |
131 | BAQ | 0.9000 |
132 | VN4 | 0.8993 |
133 | NVI | 0.8987 |
134 | NOE | 0.8981 |
135 | BBU | 0.8977 |
136 | PUT | 0.8964 |
137 | 1SP | 0.8955 |
138 | HV2 | 0.8955 |
139 | MZY | 0.8946 |
140 | 73M | 0.8944 |
141 | BXO | 0.8943 |
142 | ETM | 0.8919 |
143 | 2KT | 0.8904 |
144 | VX | 0.8897 |
145 | FW5 | 0.8893 |
146 | 24T | 0.8887 |
147 | KG7 | 0.8882 |
148 | 9A7 | 0.8881 |
149 | 13D | 0.8880 |
150 | 25T | 0.8877 |
151 | BVC | 0.8876 |
152 | 3PY | 0.8868 |
153 | BTL | 0.8865 |
154 | P7I | 0.8857 |
155 | BVG | 0.8852 |
156 | CPT | 0.8847 |
157 | 8X3 | 0.8841 |
158 | SER | 0.8835 |
159 | 8FH | 0.8833 |
160 | COM | 0.8826 |
161 | HYN | 0.8821 |
162 | THR | 0.8818 |
163 | PRI | 0.8809 |
164 | CEJ | 0.8807 |
165 | TAU | 0.8798 |
166 | DBB | 0.8793 |
167 | MZ0 | 0.8790 |
168 | HVQ | 0.8787 |
169 | 2RA | 0.8785 |
170 | 39J | 0.8784 |
171 | 03W | 0.8770 |
172 | DGY | 0.8770 |
173 | DXX | 0.8765 |
174 | SMB | 0.8753 |
175 | MMZ | 0.8743 |
176 | 9SB | 0.8742 |
177 | HIU | 0.8735 |
178 | DCY | 0.8712 |
179 | IPH | 0.8704 |
180 | FJO | 0.8689 |
181 | 2EZ | 0.8689 |
182 | MB3 | 0.8688 |
183 | 2HE | 0.8686 |
184 | C2N | 0.8685 |
185 | ETX | 0.8679 |
186 | POA | 0.8678 |
187 | 1AC | 0.8673 |
188 | MLI | 0.8672 |
189 | MLA | 0.8668 |
190 | 3ZS | 0.8655 |
191 | PE9 | 0.8652 |
192 | EFS | 0.8651 |
193 | DSN | 0.8641 |
194 | A3B | 0.8631 |
195 | HLT | 0.8619 |
196 | DMG | 0.8603 |
197 | 3HL | 0.8594 |
198 | TAY | 0.8587 |
199 | KSW | 0.8581 |
200 | C5J | 0.8577 |
201 | IVA | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 1g42.bio1) has 2 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1g42.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1g42.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |