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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 20 families. | |||||
1 | 2DG9 | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
2 | 1D7J | Kd = 500 uM | BUQ | C4 H8 O2 | CC(=O)CCO |
3 | 1BKF | Ki = 2.1 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
4 | 2FKE | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
5 | 1QPF | ic50 = 27 nM | 858 | C53 H78 N2 O12 | CC[C@@H]1C.... |
6 | 1FKJ | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
7 | 1J4H | - | SUB | C23 H28 N2 O5 S2 | CCOC(=O)C(.... |
8 | 1FKF | Kd = 0.4 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
9 | 2DG3 | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
10 | 1FKI | Ki = 100 nM | SB1 | C24 H39 N O6 | CC1(COC(=O.... |
11 | 1FKL | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
12 | 1FKH | Ki = 7 nM | SBX | C28 H41 N O4 | CCC(C)(C)C.... |
13 | 1A7X | Kd = 0.2 nM | FKA | C51 H76 N2 O14 | C[C@@H]1C[.... |
14 | 1D7I | Kd = 250 uM | DSS | C3 H8 O S2 | CSC[S@@](=.... |
15 | 1FKB | Kd = 0.2 nM | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
16 | 1FKG | Ki = 10 nM | SB3 | C28 H35 N O4 | CCC(C)(C)C.... |
17 | 1J4I | - | TST | C18 H26 N2 O5 S2 | Cc1ccc(cc1.... |
18 | 1BL4 | ic50 = 1.8 nM | AP1 | C38 H47 N O11 | CC[C@@H](c.... |
19 | 1FKD | - | 818 | C43 H69 N O13 | CC[C@@H]1C.... |
20 | 2DG4 | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
21 | 1J4R | Ki = 0.019 uM | 001 | C35 H42 F2 N2 O6 | COc1cc(cc(.... |
22 | 1C9H | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
23 | 5HKG | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
24 | 5HWC | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
25 | 5HUA | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
26 | 1YAT | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 1PBK | Ki = 0.9 nM | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
2 | 5D75 | Ki = 200 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
3 | 4JFJ | Ki = 2.1 uM | 1KU | C25 H29 N3 O6 S2 | COc1ccc(cc.... |
4 | 4DRO | ic50 = 3.9 uM | 0MD | C35 H45 N O10 | CC[C@H]1CC.... |
5 | 6TXX | - | 37K | C46 H60 N2 O10 | COc1ccc(cc.... |
6 | 6TX7 | Kd = 2.7 nM | V1L | C5 H9 N O | C1CCNC(=O).... |
7 | 6SAF | Ki = 0.23 uM | L2Q | C40 H54 N2 O8 | COc1ccc(cc.... |
8 | 4DRP | ic50 = 3.9 uM | 0MD | C35 H45 N O10 | CC[C@H]1CC.... |
9 | 6TX4 | Kd = 1.3 nM | HRZ | C5 H5 N O | C1=CC(=O)N.... |
10 | 4TX0 | Ki = 132 nM | 384 | C20 H28 Cl2 N2 O6 S | COCCN1C[C@.... |
11 | 6TX5 | Kd = 2.9 nM | 4MZ | C4 H6 N2 | Cc1c[nH]cn.... |
12 | 4DRQ | ic50 = 22.6 uM | 0OS | C31 H33 Cl2 N O9 S | COc1ccc(cc.... |
13 | 4W9O | - | 3JQ | C26 H32 Cl2 N2 O8 S | COc1ccc(cc.... |
14 | 4TW6 | Ki = 61000 nM | 37L | C39 H47 N O11 | COc1ccc(cc.... |
15 | 4JFI | Ki = 18.1 uM | 1KT | C28 H32 N2 O8 | COc1cc2c(c.... |
16 | 5OBK | - | 9QN | C21 H23 Cl2 N3 O4 S | c1ccnc(c1).... |
17 | 4JFL | Kd = 10.5 uM | 1KY | C24 H27 N3 O7 S2 | COc1ccc(cc.... |
18 | 4W9Q | - | 3JP | C26 H32 Cl2 N2 O6 S | CC[C@H]1CN.... |
19 | 5DIT | Ki = 0.7 uM | 5B8 | C39 H56 N2 O8 | C[C@H]([C@.... |
20 | 5BXJ | Kd = 0.000227 M | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
21 | 5DIU | Ki = 0.043 uM | 5BG | C42 H54 N2 O10 | COc1ccc(cc.... |
22 | 3O5R | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
23 | 4W9P | - | 3JR | C26 H32 Cl2 N2 O8 S | COc1ccc(cc.... |
24 | 4JFM | Kd = 3.3 uM | 1KZ | C23 H26 N2 O8 S2 | COc1ccc(cc.... |
25 | 6TX9 | - | HYN | C3 H4 N2 O2 | C1C(=O)NC(.... |
26 | 4DRM | ic50 = 5.8 uM | 0MC | C35 H45 N O10 | CC[C@@H]1C.... |
27 | 4DRK | ic50 = 8.36 uM | I63 | C32 H41 N O9 | CCC(C)(C)C.... |
28 | 6TX6 | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
29 | 5DIV | Ki = 0.14 uM | 5BH | C29 H43 N3 O6 | COc1cc(cc(.... |
30 | 4DRN | ic50 = 5.8 uM | 0MC | C35 H45 N O10 | CC[C@@H]1C.... |
31 | 4TW7 | Ki = 26 nM | 37K | C46 H60 N2 O10 | COc1ccc(cc.... |
32 | 2DG9 | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
33 | 1D7J | Kd = 500 uM | BUQ | C4 H8 O2 | CC(=O)CCO |
34 | 1BKF | Ki = 2.1 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
35 | 2FKE | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
36 | 1QPF | ic50 = 27 nM | 858 | C53 H78 N2 O12 | CC[C@@H]1C.... |
37 | 1FKJ | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
38 | 1J4H | - | SUB | C23 H28 N2 O5 S2 | CCOC(=O)C(.... |
39 | 1FKF | Kd = 0.4 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
40 | 2DG3 | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
41 | 1FKI | Ki = 100 nM | SB1 | C24 H39 N O6 | CC1(COC(=O.... |
42 | 1FKL | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
43 | 1FKH | Ki = 7 nM | SBX | C28 H41 N O4 | CCC(C)(C)C.... |
44 | 1A7X | Kd = 0.2 nM | FKA | C51 H76 N2 O14 | C[C@@H]1C[.... |
45 | 1D7I | Kd = 250 uM | DSS | C3 H8 O S2 | CSC[S@@](=.... |
46 | 1FKB | Kd = 0.2 nM | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
47 | 1FKG | Ki = 10 nM | SB3 | C28 H35 N O4 | CCC(C)(C)C.... |
48 | 1J4I | - | TST | C18 H26 N2 O5 S2 | Cc1ccc(cc1.... |
49 | 1BL4 | ic50 = 1.8 nM | AP1 | C38 H47 N O11 | CC[C@@H](c.... |
50 | 1FKD | - | 818 | C43 H69 N O13 | CC[C@@H]1C.... |
51 | 2DG4 | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
52 | 1J4R | Ki = 0.019 uM | 001 | C35 H42 F2 N2 O6 | COc1cc(cc(.... |
53 | 1C9H | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
54 | 5HKG | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
55 | 4J4O | - | D44 | C16 H16 N4 O S | CCc1ccccc1.... |
56 | 3IHZ | ic50 = 160 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
57 | 2VN1 | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
58 | 4QT2 | ic50 = 0.48 uM | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
59 | 4QT3 | ic50 = 0.48 uM | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
60 | 5HWC | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
61 | 5HUA | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
62 | 1YAT | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
63 | 6J2M | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BAL | 1.0000 |
2 | BUA | 1.0000 |
3 | SAR | 1.0000 |
4 | AOA | 0.9993 |
5 | BMD | 0.9946 |
6 | 3BB | 0.9920 |
7 | BU4 | 0.9892 |
8 | BUB | 0.9845 |
9 | 3OH | 0.9816 |
10 | MLI | 0.9733 |
11 | SLP | 0.9722 |
12 | R3W | 0.9689 |
13 | PUT | 0.9689 |
14 | MTG | 0.9688 |
15 | HGY | 0.9669 |
16 | OXL | 0.9663 |
17 | MLA | 0.9652 |
18 | MSF | 0.9650 |
19 | PPI | 0.9611 |
20 | F3V | 0.9601 |
21 | XAP | 0.9584 |
22 | OXD | 0.9577 |
23 | FAH | 0.9574 |
24 | GLY | 0.9570 |
25 | GOA | 0.9567 |
26 | PYR | 0.9560 |
27 | MTD | 0.9557 |
28 | OXM | 0.9557 |
29 | PXO | 0.9553 |
30 | AKR | 0.9545 |
31 | SER | 0.9538 |
32 | BXO | 0.9530 |
33 | 2RA | 0.9527 |
34 | ABU | 0.9526 |
35 | GLV | 0.9523 |
36 | GOL | 0.9511 |
37 | DXX | 0.9508 |
38 | ALQ | 0.9506 |
39 | HIU | 0.9503 |
40 | IVA | 0.9502 |
41 | FJO | 0.9494 |
42 | 2OP | 0.9493 |
43 | BXA | 0.9485 |
44 | 2KT | 0.9481 |
45 | LAC | 0.9479 |
46 | DAL | 0.9475 |
47 | CYS | 0.9474 |
48 | ALA | 0.9466 |
49 | 3PY | 0.9465 |
50 | F50 | 0.9451 |
51 | DMG | 0.9436 |
52 | HVQ | 0.9423 |
53 | SSN | 0.9422 |
54 | 2A1 | 0.9422 |
55 | DSN | 0.9419 |
56 | ATQ | 0.9415 |
57 | 3HR | 0.9405 |
58 | A3B | 0.9400 |
59 | SMB | 0.9386 |
60 | DBB | 0.9384 |
61 | 03W | 0.9384 |
62 | DGY | 0.9384 |
63 | 1AC | 0.9378 |
64 | ETX | 0.9371 |
65 | DE2 | 0.9366 |
66 | C5J | 0.9358 |
67 | MZ0 | 0.9357 |
68 | IPU | 0.9351 |
69 | NIE | 0.9350 |
70 | PRI | 0.9347 |
71 | P2D | 0.9342 |
72 | ABA | 0.9338 |
73 | BAQ | 0.9338 |
74 | 2A3 | 0.9337 |
75 | LEA | 0.9329 |
76 | HBR | 0.9326 |
77 | HBS | 0.9325 |
78 | CHT | 0.9324 |
79 | A8C | 0.9324 |
80 | NVI | 0.9322 |
81 | 1CB | 0.9321 |
82 | 9A4 | 0.9312 |
83 | CRD | 0.9299 |
84 | CP2 | 0.9296 |
85 | XPO | 0.9285 |
86 | HUI | 0.9284 |
87 | V1L | 0.9283 |
88 | C2N | 0.9274 |
89 | ETM | 0.9274 |
90 | COM | 0.9266 |
91 | DCY | 0.9264 |
92 | TSZ | 0.9263 |
93 | SIN | 0.9263 |
94 | BVG | 0.9261 |
95 | A2Q | 0.9261 |
96 | 6SP | 0.9260 |
97 | NIS | 0.9260 |
98 | NAK | 0.9255 |
99 | NMU | 0.9252 |
100 | MEU | 0.9249 |
101 | MLM | 0.9248 |
102 | 2HE | 0.9245 |
103 | 7EX | 0.9243 |
104 | KG7 | 0.9242 |
105 | HV2 | 0.9226 |
106 | 2IM | 0.9224 |
107 | 9A7 | 0.9222 |
108 | 8X3 | 0.9221 |
109 | TF4 | 0.9218 |
110 | BUO | 0.9218 |
111 | PYM | 0.9215 |
112 | 3CL | 0.9210 |
113 | 3GR | 0.9206 |
114 | 2HA | 0.9204 |
115 | BBU | 0.9203 |
116 | J3K | 0.9200 |
117 | BVC | 0.9199 |
118 | GBL | 0.9188 |
119 | AMC | 0.9188 |
120 | TAU | 0.9185 |
121 | ATO | 0.9182 |
122 | EFS | 0.9178 |
123 | 13D | 0.9176 |
124 | 61G | 0.9164 |
125 | POA | 0.9162 |
126 | AGU | 0.9147 |
127 | BRP | 0.9144 |
128 | 2EZ | 0.9143 |
129 | 4HA | 0.9135 |
130 | 3SS | 0.9134 |
131 | 39J | 0.9122 |
132 | NHY | 0.9122 |
133 | 3HL | 0.9120 |
134 | BTL | 0.9116 |
135 | TCV | 0.9113 |
136 | CYH | 0.9112 |
137 | 3MT | 0.9099 |
138 | 3ZS | 0.9098 |
139 | D2P | 0.9097 |
140 | EGD | 0.9092 |
141 | MZY | 0.9081 |
142 | L60 | 0.9078 |
143 | P7I | 0.9075 |
144 | VSO | 0.9068 |
145 | VAL | 0.9066 |
146 | MRY | 0.9063 |
147 | GXV | 0.9062 |
148 | 25T | 0.9060 |
149 | DTL | 0.9058 |
150 | ABN | 0.9058 |
151 | 0CL | 0.9057 |
152 | AML | 0.9055 |
153 | HAI | 0.9049 |
154 | 4MZ | 0.9044 |
155 | HVB | 0.9044 |
156 | VX | 0.9043 |
157 | IPH | 0.9035 |
158 | PPF | 0.9033 |
159 | MB3 | 0.9030 |
160 | 9SB | 0.9027 |
161 | MAE | 0.9027 |
162 | HYN | 0.9025 |
163 | HSL | 0.9009 |
164 | AKB | 0.9007 |
165 | AMT | 0.9007 |
166 | ETF | 0.9006 |
167 | 93B | 0.9006 |
168 | MMU | 0.9003 |
169 | TAY | 0.9003 |
170 | KSW | 0.9001 |
171 | TFB | 0.8998 |
172 | TP5 | 0.8998 |
173 | 1DH | 0.8994 |
174 | PRO | 0.8987 |
175 | HCS | 0.8982 |
176 | HSM | 0.8978 |
177 | GXE | 0.8972 |
178 | CP | 0.8972 |
179 | PE9 | 0.8971 |
180 | HSE | 0.8970 |
181 | 192 | 0.8970 |
182 | CEJ | 0.8963 |
183 | OSM | 0.8961 |
184 | 273 | 0.8959 |
185 | THR | 0.8954 |
186 | SYN | 0.8953 |
187 | PAE | 0.8952 |
188 | NMG | 0.8951 |
189 | CXL | 0.8951 |
190 | KIV | 0.8951 |
191 | BAE | 0.8937 |
192 | FUM | 0.8932 |
193 | MBN | 0.8932 |
194 | OPE | 0.8930 |
195 | 5Y9 | 0.8924 |
196 | HSW | 0.8918 |
197 | ECE | 0.8917 |
198 | 2MZ | 0.8915 |
199 | ALF | 0.8907 |
200 | 280 | 0.8902 |
201 | 69O | 0.8900 |
202 | TB0 | 0.8898 |
203 | TAN | 0.8896 |
204 | HDA | 0.8891 |
205 | 1MZ | 0.8891 |
206 | MMZ | 0.8886 |
207 | 3TR | 0.8881 |
208 | S0H | 0.8879 |
209 | 2AI | 0.8875 |
210 | APY | 0.8875 |
211 | XIX | 0.8873 |
212 | MAK | 0.8868 |
213 | MR3 | 0.8867 |
214 | 4JU | 0.8864 |
215 | CSS | 0.8862 |
216 | C21 | 0.8858 |
217 | 9PO | 0.8857 |
218 | 9X7 | 0.8849 |
219 | HHN | 0.8846 |
220 | FW5 | 0.8845 |
221 | HRZ | 0.8844 |
222 | HOW | 0.8842 |
223 | MGX | 0.8839 |
224 | SAT | 0.8836 |
225 | 7CL | 0.8836 |
226 | 1DU | 0.8831 |
227 | NBN | 0.8827 |
228 | 4AX | 0.8823 |
229 | 4AP | 0.8823 |
230 | 5MP | 0.8823 |
231 | JZ5 | 0.8822 |
232 | 2MH | 0.8821 |
233 | IQ0 | 0.8817 |
234 | 1KA | 0.8815 |
235 | EDO | 0.8810 |
236 | 5KX | 0.8809 |
237 | TTO | 0.8806 |
238 | 1SP | 0.8805 |
239 | 8CL | 0.8803 |
240 | 23W | 0.8796 |
241 | 3AP | 0.8787 |
242 | B20 | 0.8782 |
243 | WOT | 0.8780 |
244 | MMQ | 0.8780 |
245 | HX2 | 0.8774 |
246 | B24 | 0.8773 |
247 | E60 | 0.8764 |
248 | PYJ | 0.8759 |
249 | HVK | 0.8757 |
250 | HLT | 0.8741 |
251 | NVA | 0.8738 |
252 | JBN | 0.8738 |
253 | 2AP | 0.8724 |
254 | LER | 0.8723 |
255 | ICC | 0.8720 |
256 | LGA | 0.8718 |
257 | ICN | 0.8711 |
258 | IHG | 0.8710 |
259 | 4MV | 0.8707 |
260 | 278 | 0.8701 |
261 | 51F | 0.8695 |
262 | ODV | 0.8691 |
263 | SMV | 0.8676 |
264 | 40O | 0.8673 |
265 | PYZ | 0.8655 |
266 | DTI | 0.8651 |
267 | T2C | 0.8644 |
268 | JZ6 | 0.8637 |
269 | 9CL | 0.8636 |
270 | 2PC | 0.8603 |
271 | DPR | 0.8587 |
272 | PCT | 0.8583 |
273 | 1AB | 0.8559 |
274 | 285 | 0.8552 |
275 | 24T | 0.8550 |
This union binding pocket(no: 1) in the query (biounit: 1fkb.bio1) has 68 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |