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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 21 families. | |||||
1 | 1JAK | Ki = 2.7 uM | IFG | C8 H16 N2 O4 | CC(=O)N[C@.... |
2 | 1M01 | Kd = 3 mM | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
3 | 5FCZ | Ki = 68 uM | TNX | C8 H13 N O4 S | CC(=S)NC1=.... |
4 | 1HP5 | - | NGT | C8 H13 N O4 S | CC1=N[C@@H.... |
5 | 5FD0 | Ki = 2.4 uM | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
6 | 4C7F | - | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
7 | 1M04 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 4C7G | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
9 | 1M03 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 16 families. | |||||
1 | 1JAK | Ki = 2.7 uM | IFG | C8 H16 N2 O4 | CC(=O)N[C@.... |
2 | 1M01 | Kd = 3 mM | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
3 | 5FCZ | Ki = 68 uM | TNX | C8 H13 N O4 S | CC(=S)NC1=.... |
4 | 1HP5 | - | NGT | C8 H13 N O4 S | CC1=N[C@@H.... |
5 | 5FD0 | Ki = 2.4 uM | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
6 | 4C7F | - | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
7 | 1M04 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 4C7G | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
9 | 1M03 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
10 | 3SUT | Ki = 0.014 uM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
11 | 3SUV | - | NOK | C8 H16 N2 O4 | CC(=O)N[C@.... |
12 | 3SUU | Ki = 0.003 uM | OGN | C15 H19 N3 O7 | CC(=O)N[C@.... |
13 | 3GH7 | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
14 | 3SUR | Ki = 70 uM | NGT | C8 H13 N O4 S | CC1=N[C@@H.... |
15 | 3SUS | Ki = 71 uM | GNL | C8 H13 N O4 S | CC1=N[C@@H.... |
16 | 3SUW | Ki = 20 uM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
17 | 3GH5 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TNX | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NGT | 0.9914 |
2 | NGW | 0.9853 |
3 | NAG | 0.9842 |
4 | NGO | 0.9692 |
5 | NOK | 0.9689 |
6 | NDG | 0.9620 |
7 | GDL | 0.9537 |
8 | GC3 | 0.9506 |
9 | IFG | 0.9448 |
10 | GNL | 0.9384 |
11 | NGA | 0.9361 |
12 | 5FN | 0.9329 |
13 | NSG | 0.9312 |
14 | LTM | 0.9272 |
15 | EPR | 0.9267 |
16 | BEU | 0.9266 |
17 | NB1 | 0.9253 |
18 | NHT | 0.9234 |
19 | A2G | 0.9221 |
20 | GC2 | 0.9212 |
21 | LDP | 0.9201 |
22 | 57O | 0.9197 |
23 | ASC | 0.9190 |
24 | K82 | 0.9174 |
25 | OMD | 0.9152 |
26 | F34 | 0.9152 |
27 | HQ9 | 0.9152 |
28 | BDP | 0.9127 |
29 | W81 | 0.9118 |
30 | BGN | 0.9104 |
31 | 0FN | 0.9100 |
32 | SNG | 0.9076 |
33 | BNX | 0.9069 |
34 | NLA | 0.9066 |
35 | 9KH | 0.9063 |
36 | 15N | 0.9063 |
37 | LOG | 0.9061 |
38 | NOJ | 0.9059 |
39 | IAC | 0.9044 |
40 | NFM | 0.9043 |
41 | GLC | 0.9042 |
42 | 5OF | 0.9034 |
43 | 3DM | 0.9033 |
44 | 2CZ | 0.9017 |
45 | ICB | 0.9015 |
46 | VXX | 0.9014 |
47 | 6FZ | 0.9006 |
48 | PLP | 0.9002 |
49 | PXP | 0.9002 |
50 | 9R5 | 0.9002 |
51 | EUG | 0.9001 |
52 | FRU | 0.8997 |
53 | RVE | 0.8988 |
54 | ZZZ | 0.8988 |
55 | YTX | 0.8987 |
56 | BK9 | 0.8983 |
57 | P7Y | 0.8979 |
58 | 3C4 | 0.8974 |
59 | OW7 | 0.8969 |
60 | NPA | 0.8968 |
61 | SRO | 0.8965 |
62 | HHT | 0.8963 |
63 | AEH | 0.8959 |
64 | BBK | 0.8959 |
65 | DJN | 0.8958 |
66 | G1P | 0.8952 |
67 | DHY | 0.8942 |
68 | XEN | 0.8940 |
69 | PMP | 0.8936 |
70 | LYL | 0.8931 |
71 | G2F | 0.8928 |
72 | 7FF | 0.8928 |
73 | K3Q | 0.8928 |
74 | BGC | 0.8927 |
75 | TSR | 0.8923 |
76 | HA5 | 0.8923 |
77 | ARP | 0.8921 |
78 | S3C | 0.8918 |
79 | P84 | 0.8914 |
80 | CSN | 0.8912 |
81 | CKU | 0.8910 |
82 | X09 | 0.8909 |
83 | PZP | 0.8906 |
84 | TSS | 0.8903 |
85 | ZPF | 0.8899 |
86 | NOY | 0.8897 |
87 | VOH | 0.8894 |
88 | PA1 | 0.8891 |
89 | MQB | 0.8890 |
90 | TRP | 0.8890 |
91 | PLR | 0.8878 |
92 | NVU | 0.8878 |
93 | HPT | 0.8870 |
94 | IOS | 0.8869 |
95 | PQZ | 0.8868 |
96 | DIG | 0.8863 |
97 | BM3 | 0.8860 |
98 | 61M | 0.8857 |
99 | CTS | 0.8856 |
100 | 0JD | 0.8856 |
101 | I2E | 0.8855 |
102 | ASO | 0.8852 |
103 | NCV | 0.8848 |
104 | EMZ | 0.8846 |
105 | G3F | 0.8846 |
106 | XX3 | 0.8844 |
107 | LCN | 0.8842 |
108 | LGC | 0.8841 |
109 | GT0 | 0.8841 |
110 | S24 | 0.8840 |
111 | GZQ | 0.8840 |
112 | CIP | 0.8839 |
113 | 9BF | 0.8838 |
114 | R1P | 0.8837 |
115 | CN0 | 0.8832 |
116 | HQ6 | 0.8831 |
117 | 790 | 0.8831 |
118 | TL6 | 0.8830 |
119 | GAL | 0.8824 |
120 | IOP | 0.8818 |
121 | XYH | 0.8816 |
122 | 6HP | 0.8814 |
123 | 4HM | 0.8813 |
124 | 14W | 0.8813 |
125 | SOE | 0.8811 |
126 | GFP | 0.8809 |
127 | AFR | 0.8806 |
128 | BG6 | 0.8803 |
129 | MAG | 0.8799 |
130 | G6P | 0.8798 |
131 | 3MG | 0.8797 |
132 | MNP | 0.8796 |
133 | M3Q | 0.8795 |
134 | FXH | 0.8793 |
135 | EOL | 0.8789 |
136 | 2F8 | 0.8788 |
137 | H4B | 0.8788 |
138 | 7Q1 | 0.8787 |
139 | APS | 0.8784 |
140 | IFL | 0.8784 |
141 | ISD | 0.8784 |
142 | FUD | 0.8783 |
143 | BWD | 0.8777 |
144 | MP5 | 0.8776 |
145 | QMS | 0.8775 |
146 | EV3 | 0.8772 |
147 | TXW | 0.8771 |
148 | F5C | 0.8770 |
149 | CWD | 0.8770 |
150 | 1BW | 0.8768 |
151 | SR1 | 0.8766 |
152 | 0LH | 0.8766 |
153 | STT | 0.8766 |
154 | MNM | 0.8765 |
155 | P0P | 0.8762 |
156 | TLM | 0.8756 |
157 | GLA | 0.8755 |
158 | 4Z9 | 0.8749 |
159 | IWD | 0.8747 |
160 | GPM | 0.8747 |
161 | 8S0 | 0.8745 |
162 | GLP | 0.8740 |
163 | X04 | 0.8740 |
164 | FWD | 0.8740 |
165 | BCU | 0.8740 |
166 | PXM | 0.8737 |
167 | 6DP | 0.8735 |
168 | 4R1 | 0.8734 |
169 | HJH | 0.8730 |
170 | GLO | 0.8729 |
171 | TAG | 0.8727 |
172 | GCB | 0.8727 |
173 | X1P | 0.8723 |
174 | AMG | 0.8723 |
175 | DHS | 0.8720 |
176 | CS2 | 0.8720 |
177 | 92K | 0.8719 |
178 | KP6 | 0.8709 |
179 | JVN | 0.8707 |
180 | SOR | 0.8707 |
181 | PRZ | 0.8706 |
182 | FLC | 0.8704 |
183 | HJ7 | 0.8703 |
184 | 948 | 0.8699 |
185 | 2XX | 0.8698 |
186 | GCO | 0.8698 |
187 | FTV | 0.8695 |
188 | DIE | 0.8693 |
189 | 3LJ | 0.8686 |
190 | 4ME | 0.8685 |
191 | 94B | 0.8684 |
192 | DTR | 0.8684 |
193 | HWD | 0.8676 |
194 | GLF | 0.8676 |
195 | DMJ | 0.8674 |
196 | MTL | 0.8673 |
197 | 2GS | 0.8672 |
198 | H7Y | 0.8671 |
199 | ZON | 0.8666 |
200 | GSY | 0.8664 |
201 | L21 | 0.8664 |
202 | 4A5 | 0.8656 |
203 | MAN | 0.8655 |
204 | MPP | 0.8653 |
205 | P80 | 0.8651 |
206 | GZL | 0.8642 |
207 | 4NG | 0.8642 |
208 | NHG | 0.8639 |
209 | CIT | 0.8638 |
210 | SBK | 0.8637 |
211 | 2AL | 0.8635 |
212 | FA1 | 0.8632 |
213 | 5WU | 0.8630 |
214 | 8XL | 0.8629 |
215 | R9S | 0.8628 |
216 | 2CL | 0.8626 |
217 | 15L | 0.8622 |
218 | PPT | 0.8622 |
219 | 6Q3 | 0.8621 |
220 | 9F8 | 0.8615 |
221 | 67Y | 0.8613 |
222 | 1U6 | 0.8612 |
223 | PW1 | 0.8610 |
224 | 2H5 | 0.8602 |
225 | QM1 | 0.8602 |
226 | KG1 | 0.8601 |
227 | KIA | 0.8601 |
228 | AHR | 0.8599 |
229 | 4VY | 0.8597 |
230 | GL1 | 0.8596 |
231 | 293 | 0.8595 |
232 | FA3 | 0.8594 |
233 | GLT | 0.8591 |
234 | R8Y | 0.8590 |
235 | A6P | 0.8587 |
236 | 3RI | 0.8581 |
237 | KBG | 0.8578 |
238 | MMS | 0.8564 |
239 | REL | 0.8561 |
240 | ALN | 0.8559 |
241 | 2JX | 0.8553 |
242 | JV4 | 0.8549 |
243 | 23J | 0.8545 |
244 | HSX | 0.8523 |
245 | 2FG | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 5fd0.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5fd0.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5fd0.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |