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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 1331 families. | |||||
1 | 5HIP | Kd = 0.9 uM | 61O | C12 H9 N O2 | c1ccc(c(c1.... |
2 | 2Q0I | Kd = 29.1 uM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
3 | 3DH8 | - | B4N | C12 H9 N2 O8 P | c1cc(ccc1[.... |
4 | 5HIO | - | 61M | C9 H9 N O3 | c1ccc(c(c1.... |
5 | 5HIS | Kd = 19.6 uM | 60P | C6 H6 O2 S | Cc1ccsc1C(.... |
6 | 2Q0J | Kd = 29.1 uM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
7 | 5HIQ | - | 60Q | C11 H9 N O2 | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5HIP | Kd = 0.9 uM | 61O | C12 H9 N O2 | c1ccc(c(c1.... |
2 | 2Q0I | Kd = 29.1 uM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
3 | 3DH8 | - | B4N | C12 H9 N2 O8 P | c1cc(ccc1[.... |
4 | 5HIO | - | 61M | C9 H9 N O3 | c1ccc(c(c1.... |
5 | 5HIS | Kd = 19.6 uM | 60P | C6 H6 O2 S | Cc1ccsc1C(.... |
6 | 2Q0J | Kd = 29.1 uM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
7 | 5HIQ | - | 60Q | C11 H9 N O2 | c1ccc(c(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BPS | 0.9807 |
2 | 60Q | 0.9667 |
3 | SQP | 0.9667 |
4 | B2Y | 0.9661 |
5 | OBP | 0.9583 |
6 | 49O | 0.9537 |
7 | LT8 | 0.9522 |
8 | 6XI | 0.9380 |
9 | 5VJ | 0.9369 |
10 | DC5 | 0.9335 |
11 | MPK | 0.9333 |
12 | 1Z8 | 0.9333 |
13 | 89J | 0.9326 |
14 | F69 | 0.9325 |
15 | M4B | 0.9314 |
16 | ACE PHE | 0.9302 |
17 | BPY | 0.9301 |
18 | T2D | 0.9297 |
19 | A9O | 0.9276 |
20 | BCK | 0.9267 |
21 | Z5P | 0.9261 |
22 | 49N | 0.9256 |
23 | 6W6 | 0.9235 |
24 | 1FF | 0.9234 |
25 | JRB | 0.9224 |
26 | 2D3 | 0.9220 |
27 | 8GK | 0.9218 |
28 | XQK | 0.9208 |
29 | CH9 | 0.9205 |
30 | 1WC | 0.9196 |
31 | AVI | 0.9190 |
32 | 6J9 | 0.9169 |
33 | AIN | 0.9161 |
34 | KYA | 0.9159 |
35 | SV4 | 0.9154 |
36 | K3Y | 0.9152 |
37 | NLA | 0.9134 |
38 | S0G | 0.9131 |
39 | 1XA | 0.9130 |
40 | GTC | 0.9129 |
41 | DNB | 0.9127 |
42 | CP7 | 0.9125 |
43 | N2Z | 0.9119 |
44 | 2LX | 0.9115 |
45 | 5OF | 0.9110 |
46 | 52C | 0.9101 |
47 | 9X5 | 0.9099 |
48 | 5VL | 0.9098 |
49 | SQ7 | 0.9091 |
50 | L13 | 0.9088 |
51 | 97T | 0.9087 |
52 | 692 | 0.9087 |
53 | A9P | 0.9080 |
54 | TT4 | 0.9079 |
55 | J9Q | 0.9074 |
56 | W8G | 0.9070 |
57 | ONR | 0.9067 |
58 | 7CT | 0.9067 |
59 | NCT | 0.9062 |
60 | ZZ8 | 0.9060 |
61 | 2B4 | 0.9056 |
62 | PRZ | 0.9053 |
63 | 6DP | 0.9046 |
64 | B4O | 0.9042 |
65 | 0F9 | 0.9033 |
66 | SQ4 | 0.9030 |
67 | 0GY | 0.9023 |
68 | WOE | 0.9023 |
69 | PJW | 0.9018 |
70 | 512 | 0.9018 |
71 | AVJ | 0.9012 |
72 | QZ8 | 0.9009 |
73 | CP6 | 0.9003 |
74 | NZ3 | 0.9003 |
75 | 3Y7 | 0.9000 |
76 | S7B | 0.8996 |
77 | 6VD | 0.8987 |
78 | EVA | 0.8980 |
79 | QMS | 0.8968 |
80 | QM1 | 0.8966 |
81 | DNA | 0.8960 |
82 | M5H | 0.8958 |
83 | 4ME | 0.8957 |
84 | 9PY | 0.8956 |
85 | 96R | 0.8955 |
86 | AY4 | 0.8954 |
87 | JR2 | 0.8953 |
88 | DQA | 0.8953 |
89 | AKD | 0.8950 |
90 | 5NS | 0.8948 |
91 | GVG | 0.8944 |
92 | N3W | 0.8941 |
93 | 3B4 | 0.8939 |
94 | OSB | 0.8937 |
95 | I59 | 0.8933 |
96 | 54X | 0.8932 |
97 | TQU | 0.8932 |
98 | CK2 | 0.8929 |
99 | 8NX | 0.8924 |
100 | FA6 | 0.8922 |
101 | GLY PHE | 0.8918 |
102 | BP3 | 0.8915 |
103 | ZME | 0.8912 |
104 | DHK | 0.8912 |
105 | IOS | 0.8908 |
106 | JTH | 0.8907 |
107 | 61M | 0.8901 |
108 | IAC | 0.8901 |
109 | M3Q | 0.8897 |
110 | CKX | 0.8896 |
111 | CK1 | 0.8889 |
112 | SLY | 0.8889 |
113 | V6F | 0.8887 |
114 | 791 | 0.8885 |
115 | XFE | 0.8884 |
116 | 25O | 0.8881 |
117 | 787 | 0.8878 |
118 | N8Z | 0.8877 |
119 | TRP | 0.8874 |
120 | S3B | 0.8873 |
121 | 2ZQ | 0.8869 |
122 | IBM | 0.8869 |
123 | M5E | 0.8868 |
124 | DNC | 0.8865 |
125 | AVO | 0.8864 |
126 | 9AP | 0.8860 |
127 | BDP | 0.8859 |
128 | GCB | 0.8857 |
129 | 67Y | 0.8856 |
130 | AM1 | 0.8856 |
131 | GTR | 0.8853 |
132 | LDR | 0.8849 |
133 | A7K | 0.8848 |
134 | A3Q | 0.8844 |
135 | CR1 | 0.8840 |
136 | NTM | 0.8833 |
137 | GCU | 0.8831 |
138 | F16 | 0.8831 |
139 | QPR | 0.8828 |
140 | 4KL | 0.8828 |
141 | CIT | 0.8823 |
142 | 256 | 0.8820 |
143 | LZ2 | 0.8820 |
144 | O2A | 0.8818 |
145 | NVU | 0.8818 |
146 | 67X | 0.8815 |
147 | BK9 | 0.8814 |
148 | LL1 | 0.8812 |
149 | BZS | 0.8810 |
150 | 23J | 0.8808 |
151 | UFV | 0.8806 |
152 | C2Y | 0.8804 |
153 | MUR | 0.8802 |
154 | K2P | 0.8801 |
155 | CKA | 0.8800 |
156 | 92P | 0.8796 |
157 | 44V | 0.8791 |
158 | AX3 | 0.8782 |
159 | JKZ | 0.8780 |
160 | NIG | 0.8776 |
161 | NBG | 0.8775 |
162 | CLU | 0.8773 |
163 | HNH | 0.8770 |
164 | 5WU | 0.8768 |
165 | KIF | 0.8767 |
166 | 7Q1 | 0.8767 |
167 | URC | 0.8763 |
168 | Q71 | 0.8761 |
169 | 7MX | 0.8759 |
170 | 54E | 0.8758 |
171 | GZQ | 0.8755 |
172 | BQ5 | 0.8751 |
173 | OA3 | 0.8750 |
174 | TSR | 0.8746 |
175 | BY5 | 0.8745 |
176 | F6P | 0.8744 |
177 | 0A9 | 0.8743 |
178 | M3S | 0.8743 |
179 | KFN | 0.8742 |
180 | VXX | 0.8741 |
181 | JF6 | 0.8740 |
182 | 7WR | 0.8740 |
183 | 293 | 0.8740 |
184 | 6PB | 0.8738 |
185 | GDE | 0.8735 |
186 | NZ2 | 0.8734 |
187 | H5B | 0.8730 |
188 | 0GZ | 0.8730 |
189 | 2CZ | 0.8729 |
190 | QQQ | 0.8728 |
191 | CC5 | 0.8727 |
192 | 4XV | 0.8726 |
193 | 6HO | 0.8722 |
194 | 1F1 | 0.8720 |
195 | JUO | 0.8717 |
196 | KF5 | 0.8714 |
197 | 2O6 | 0.8713 |
198 | 5NI | 0.8712 |
199 | NAG | 0.8712 |
200 | PHT | 0.8710 |
201 | X6P | 0.8710 |
202 | CBF | 0.8709 |
203 | IPT | 0.8708 |
204 | HNK | 0.8705 |
205 | OQC | 0.8704 |
206 | QIC | 0.8700 |
207 | ADA | 0.8698 |
208 | M4E | 0.8697 |
209 | M5N | 0.8693 |
210 | BNL | 0.8689 |
211 | ZOL | 0.8687 |
212 | 5V7 | 0.8684 |
213 | B62 | 0.8683 |
214 | PH2 | 0.8681 |
215 | ICT | 0.8681 |
216 | 11G | 0.8679 |
217 | 39U | 0.8679 |
218 | GF4 | 0.8678 |
219 | RIS | 0.8678 |
220 | YQA | 0.8677 |
221 | ORO | 0.8676 |
222 | GRX | 0.8675 |
223 | FDR | 0.8664 |
224 | HNQ | 0.8662 |
225 | 5PX | 0.8654 |
226 | FLC | 0.8654 |
227 | FGZ | 0.8653 |
228 | XZ8 | 0.8652 |
229 | GM7 | 0.8650 |
230 | 2J9 | 0.8649 |
231 | KYN | 0.8648 |
232 | 7FF | 0.8647 |
233 | GJS | 0.8646 |
234 | 7QS | 0.8644 |
235 | 9OF | 0.8642 |
236 | TNF | 0.8642 |
237 | 8MO | 0.8641 |
238 | GDL | 0.8638 |
239 | CFA | 0.8638 |
240 | GLY PRO | 0.8636 |
241 | 15L | 0.8635 |
242 | SBK | 0.8630 |
243 | EGR | 0.8630 |
244 | 6BL | 0.8630 |
245 | GV9 | 0.8627 |
246 | MEX | 0.8627 |
247 | 3A9 | 0.8627 |
248 | G1P | 0.8625 |
249 | KLK | 0.8615 |
250 | TWO | 0.8614 |
251 | 3YQ | 0.8611 |
252 | KLW | 0.8610 |
253 | 52B | 0.8610 |
254 | PEY | 0.8610 |
255 | YO5 | 0.8606 |
256 | 4NO | 0.8605 |
257 | S3C | 0.8604 |
258 | 9ZE | 0.8602 |
259 | KTW | 0.8602 |
260 | HQJ | 0.8598 |
261 | T6Z | 0.8597 |
262 | 7ZL | 0.8596 |
263 | MAG | 0.8594 |
264 | X8D | 0.8592 |
265 | HLD | 0.8590 |
266 | GBN | 0.8590 |
267 | GZ8 | 0.8589 |
268 | AMR | 0.8585 |
269 | SHA | 0.8585 |
270 | 9GP | 0.8580 |
271 | 28N | 0.8580 |
272 | 36Z | 0.8580 |
273 | 7ZE | 0.8579 |
274 | 0JD | 0.8571 |
275 | DRG | 0.8570 |
276 | 505 | 0.8570 |
277 | QAS | 0.8569 |
278 | 2LB | 0.8568 |
279 | EXD | 0.8567 |
280 | OX2 | 0.8565 |
281 | Q2R | 0.8562 |
282 | UAN | 0.8562 |
283 | OTD | 0.8550 |
284 | E35 | 0.8550 |
285 | BPU | 0.8550 |
286 | 5WY | 0.8544 |
287 | UFO | 0.8543 |
288 | 209 | 0.8540 |
289 | 3VW | 0.8540 |
290 | PHE | 0.8529 |
291 | ZZZ | 0.8528 |
292 | C53 | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 5hip.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |