- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 6 families. | |||||
1 | 1I7B | - | PUT | C4 H12 N2 | C(CCN)CN |
2 | 3H0V | ic50 = 15 uM | M2T | C12 H19 N5 O3 S | CS(C)C[C@@.... |
3 | 3EPB | Ka = 10000 M^-1 | PUT | C4 H12 N2 | C(CCN)CN |
4 | 1I72 | - | PUT | C4 H12 N2 | C(CCN)CN |
5 | 3DZ4 | ic50 = 400 nM | C8M | C15 H23 N7 O4 | Cc1nc2c(nc.... |
6 | 3DZ5 | - | PUT | C4 H12 N2 | C(CCN)CN |
7 | 1I7C | ic50 = 0.4 uM | MGB | C5 H12 N8 | [H]/N=C(N).... |
8 | 3H0W | ic50 = 600 nM | N8M | C13 H20 N6 O3 | Cc1nc2c(nc.... |
9 | 3DZ6 | ic50 = 15 nM | M8E | C17 H27 N7 O4 | C[N@@](CCC.... |
10 | 3DZ7 | - | PUT | C4 H12 N2 | C(CCN)CN |
11 | 1I79 | - | PUT | C4 H12 N2 | C(CCN)CN |
12 | 3EPA | Ka = 2000 M^-1 | PUT | C4 H12 N2 | C(CCN)CN |
13 | 3DZ2 | ic50 = 70 uM | A8M | C15 H25 N7 O3 | Cc1nc2c(nc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 1I7B | - | PUT | C4 H12 N2 | C(CCN)CN |
2 | 3H0V | ic50 = 15 uM | M2T | C12 H19 N5 O3 S | CS(C)C[C@@.... |
3 | 3EPB | Ka = 10000 M^-1 | PUT | C4 H12 N2 | C(CCN)CN |
4 | 1I72 | - | PUT | C4 H12 N2 | C(CCN)CN |
5 | 3DZ4 | ic50 = 400 nM | C8M | C15 H23 N7 O4 | Cc1nc2c(nc.... |
6 | 3DZ5 | - | PUT | C4 H12 N2 | C(CCN)CN |
7 | 1I7C | ic50 = 0.4 uM | MGB | C5 H12 N8 | [H]/N=C(N).... |
8 | 3H0W | ic50 = 600 nM | N8M | C13 H20 N6 O3 | Cc1nc2c(nc.... |
9 | 3DZ6 | ic50 = 15 nM | M8E | C17 H27 N7 O4 | C[N@@](CCC.... |
10 | 3DZ7 | - | PUT | C4 H12 N2 | C(CCN)CN |
11 | 1I79 | - | PUT | C4 H12 N2 | C(CCN)CN |
12 | 3EPA | Ka = 2000 M^-1 | PUT | C4 H12 N2 | C(CCN)CN |
13 | 3DZ2 | ic50 = 70 uM | A8M | C15 H25 N7 O3 | Cc1nc2c(nc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 7CL | 1.0000 |
2 | BXO | 1.0000 |
3 | ETX | 1.0000 |
4 | 4HA | 1.0000 |
5 | XAP | 1.0000 |
6 | PE9 | 1.0000 |
7 | 5BR | 0.9969 |
8 | NBN | 0.9919 |
9 | 9A7 | 0.9851 |
10 | BUB | 0.9821 |
11 | O8Y | 0.9809 |
12 | HE2 | 0.9795 |
13 | BAL | 0.9759 |
14 | HP6 | 0.9754 |
15 | BBU | 0.9718 |
16 | 3CL | 0.9716 |
17 | 1KA | 0.9706 |
18 | 1SP | 0.9702 |
19 | BMD | 0.9690 |
20 | BUQ | 0.9689 |
21 | YIV | 0.9687 |
22 | CRD | 0.9686 |
23 | PXO | 0.9685 |
24 | EGD | 0.9663 |
25 | 0CL | 0.9644 |
26 | BUA | 0.9644 |
27 | SGL | 0.9642 |
28 | 3OH | 0.9641 |
29 | 9A4 | 0.9618 |
30 | ABU | 0.9613 |
31 | 266 | 0.9606 |
32 | 3BB | 0.9592 |
33 | 3GR | 0.9591 |
34 | BU4 | 0.9590 |
35 | SSN | 0.9589 |
36 | FW5 | 0.9581 |
37 | ITU | 0.9568 |
38 | 25T | 0.9540 |
39 | LEA | 0.9539 |
40 | GOL | 0.9521 |
41 | SLP | 0.9519 |
42 | GXV | 0.9513 |
43 | MMU | 0.9509 |
44 | SAR | 0.9505 |
45 | A8C | 0.9489 |
46 | SIN | 0.9484 |
47 | MTG | 0.9461 |
48 | 1DH | 0.9452 |
49 | 2HA | 0.9450 |
50 | MEU | 0.9428 |
51 | MSF | 0.9427 |
52 | 2RA | 0.9425 |
53 | MLA | 0.9395 |
54 | PG3 | 0.9371 |
55 | DAV | 0.9368 |
56 | 2KT | 0.9366 |
57 | AOA | 0.9364 |
58 | DSS | 0.9338 |
59 | DGY | 0.9338 |
60 | CYS | 0.9336 |
61 | IVA | 0.9320 |
62 | ABA | 0.9317 |
63 | AAE | 0.9314 |
64 | P2D | 0.9306 |
65 | C2N | 0.9303 |
66 | DCY | 0.9299 |
67 | PG0 | 0.9292 |
68 | MLI | 0.9291 |
69 | FUM | 0.9285 |
70 | HIU | 0.9274 |
71 | DSN | 0.9272 |
72 | MLM | 0.9271 |
73 | A3B | 0.9271 |
74 | SER | 0.9267 |
75 | 3SS | 0.9266 |
76 | D2P | 0.9261 |
77 | VKC | 0.9259 |
78 | DE2 | 0.9257 |
79 | MAE | 0.9252 |
80 | 24T | 0.9250 |
81 | MTD | 0.9247 |
82 | NMG | 0.9241 |
83 | C5J | 0.9236 |
84 | PRI | 0.9234 |
85 | 3PY | 0.9233 |
86 | DMG | 0.9229 |
87 | NVI | 0.9223 |
88 | HE4 | 0.9220 |
89 | ISU | 0.9216 |
90 | HX2 | 0.9215 |
91 | 03W | 0.9212 |
92 | DBB | 0.9211 |
93 | HTX | 0.9211 |
94 | H95 | 0.9208 |
95 | CHT | 0.9206 |
96 | MRY | 0.9206 |
97 | 4MV | 0.9205 |
98 | E60 | 0.9204 |
99 | SHF | 0.9197 |
100 | FJO | 0.9195 |
101 | GLY | 0.9192 |
102 | OCT | 0.9188 |
103 | 2HE | 0.9187 |
104 | LER | 0.9177 |
105 | HYN | 0.9172 |
106 | 23W | 0.9171 |
107 | 6NA | 0.9168 |
108 | 3HR | 0.9161 |
109 | HSE | 0.9158 |
110 | SHO | 0.9155 |
111 | CEJ | 0.9155 |
112 | IPU | 0.9149 |
113 | HV2 | 0.9143 |
114 | MZW | 0.9141 |
115 | HUI | 0.9141 |
116 | BP9 | 0.9141 |
117 | ETM | 0.9139 |
118 | HVQ | 0.9133 |
119 | OPE | 0.9132 |
120 | HDA | 0.9131 |
121 | SMB | 0.9122 |
122 | BVC | 0.9121 |
123 | TAU | 0.9120 |
124 | 3HL | 0.9120 |
125 | COM | 0.9114 |
126 | 9X7 | 0.9110 |
127 | XPO | 0.9097 |
128 | BHL | 0.9092 |
129 | BHL BHL | 0.9092 |
130 | 4SD | 0.9088 |
131 | EFS | 0.9088 |
132 | IHG | 0.9086 |
133 | THR | 0.9078 |
134 | 9YL | 0.9074 |
135 | HSM | 0.9073 |
136 | VX | 0.9069 |
137 | 69O | 0.9062 |
138 | F3V | 0.9060 |
139 | JZ5 | 0.9058 |
140 | MZ0 | 0.9053 |
141 | ATO | 0.9048 |
142 | DTU | 0.9048 |
143 | DTL | 0.9044 |
144 | POA | 0.9042 |
145 | KG7 | 0.9042 |
146 | DXX | 0.9040 |
147 | DQY | 0.9035 |
148 | NVA | 0.9031 |
149 | IQ0 | 0.9030 |
150 | OHG | 0.9023 |
151 | 8X3 | 0.9016 |
152 | OSM | 0.9011 |
153 | 39J | 0.9011 |
154 | BVG | 0.9009 |
155 | HCS | 0.9007 |
156 | OXL | 0.9007 |
157 | PPI | 0.9002 |
158 | P7I | 0.9000 |
159 | BTL | 0.8992 |
160 | PGA | 0.8989 |
161 | OXD | 0.8982 |
162 | 2EZ | 0.8981 |
163 | GOA | 0.8973 |
164 | FAH | 0.8966 |
165 | A20 | 0.8965 |
166 | AKR | 0.8965 |
167 | CSS | 0.8965 |
168 | 1BP | 0.8964 |
169 | OKG | 0.8961 |
170 | TZC | 0.8957 |
171 | R3W | 0.8955 |
172 | GLV | 0.8950 |
173 | XIX | 0.8948 |
174 | PRO | 0.8945 |
175 | SMV | 0.8944 |
176 | CP | 0.8943 |
177 | F50 | 0.8940 |
178 | NIE | 0.8940 |
179 | TFB | 0.8940 |
180 | HBR | 0.8939 |
181 | 1DU | 0.8934 |
182 | ORN | 0.8932 |
183 | HVB | 0.8925 |
184 | BRP | 0.8925 |
185 | AMC | 0.8924 |
186 | DCL | 0.8918 |
187 | PYR | 0.8917 |
188 | JBN | 0.8915 |
189 | 9SB | 0.8910 |
190 | C21 | 0.8908 |
191 | ALO | 0.8908 |
192 | 2A1 | 0.8906 |
193 | HAE | 0.8905 |
194 | PYC | 0.8897 |
195 | MZY | 0.8896 |
196 | LAC | 0.8896 |
197 | BRJ | 0.8894 |
198 | EDO | 0.8888 |
199 | COI | 0.8885 |
200 | HBS | 0.8882 |
201 | FCN | 0.8882 |
202 | DAL | 0.8874 |
203 | MLT | 0.8874 |
204 | 2OP | 0.8866 |
205 | KIV | 0.8860 |
206 | ALA | 0.8855 |
207 | VAL | 0.8853 |
208 | BAE | 0.8852 |
209 | ODV | 0.8846 |
210 | PRS | 0.8844 |
211 | IOM | 0.8843 |
212 | CRN | 0.8843 |
213 | CMS | 0.8839 |
214 | TEO | 0.8838 |
215 | 273 | 0.8836 |
216 | BUO | 0.8834 |
217 | CP2 | 0.8833 |
218 | XRG | 0.8830 |
219 | 2PC | 0.8829 |
220 | TB6 | 0.8826 |
221 | DTT | 0.8824 |
222 | LMR | 0.8823 |
223 | NMU | 0.8822 |
224 | SAT | 0.8822 |
225 | TP5 | 0.8816 |
226 | DAS | 0.8814 |
227 | ASP | 0.8812 |
228 | ALQ | 0.8807 |
229 | ATQ | 0.8804 |
230 | 265 | 0.8801 |
231 | AKB | 0.8801 |
232 | FOA | 0.8799 |
233 | OAA | 0.8798 |
234 | NOE | 0.8797 |
235 | 1CB | 0.8796 |
236 | 2MH | 0.8796 |
237 | PAE | 0.8793 |
238 | 7VD | 0.8790 |
239 | MPD | 0.8789 |
240 | OXM | 0.8788 |
241 | PCT | 0.8787 |
242 | UGC | 0.8785 |
243 | S0H | 0.8783 |
244 | ETF | 0.8780 |
245 | HBX | 0.8775 |
246 | PYF | 0.8771 |
247 | DPR | 0.8771 |
248 | DCE | 0.8769 |
249 | 2RH | 0.8767 |
250 | SYN | 0.8762 |
251 | ASN | 0.8761 |
252 | PY7 | 0.8760 |
253 | BXA | 0.8757 |
254 | BML | 0.8752 |
255 | DYA | 0.8748 |
256 | GUA | 0.8748 |
257 | 7WG | 0.8744 |
258 | TSZ | 0.8744 |
259 | HAI | 0.8741 |
260 | GXE | 0.8740 |
261 | CXL | 0.8736 |
262 | ABN | 0.8733 |
263 | FPI | 0.8732 |
264 | TAN | 0.8726 |
265 | MET | 0.8722 |
266 | 3MT | 0.8721 |
267 | HGY | 0.8721 |
268 | NAK | 0.8713 |
269 | NLE | 0.8708 |
270 | 6SP | 0.8708 |
271 | 2A3 | 0.8708 |
272 | BYZ | 0.8707 |
273 | IPH | 0.8705 |
274 | 1MR | 0.8704 |
275 | THE | 0.8701 |
276 | LEU | 0.8700 |
277 | CNH | 0.8700 |
278 | GLY GLY | 0.8699 |
279 | MGX | 0.8699 |
280 | V1L | 0.8693 |
281 | J3K | 0.8689 |
282 | UY7 | 0.8686 |
283 | 4CH | 0.8684 |
284 | CYH | 0.8682 |
285 | PYZ | 0.8680 |
286 | TB0 | 0.8678 |
287 | 4MZ | 0.8676 |
288 | QPT | 0.8670 |
289 | PCA | 0.8669 |
290 | 282 | 0.8668 |
291 | 2IM | 0.8667 |
292 | B24 | 0.8667 |
293 | 3BR | 0.8667 |
294 | JYD | 0.8667 |
295 | GBL | 0.8657 |
296 | NHY | 0.8655 |
297 | ES3 | 0.8652 |
298 | HYP | 0.8649 |
299 | PYJ | 0.8645 |
300 | VSO | 0.8641 |
301 | HZP | 0.8633 |
302 | T2C | 0.8631 |
303 | PPF | 0.8619 |
304 | XBT | 0.8619 |
305 | BAQ | 0.8617 |
306 | URP | 0.8616 |
307 | ICN | 0.8606 |
308 | FQI | 0.8601 |
309 | 1AC | 0.8596 |
310 | CB0 | 0.8596 |
311 | NBE | 0.8590 |
312 | ZBT | 0.8585 |
313 | PAH | 0.8578 |
314 | BHH | 0.8573 |
315 | APY | 0.8569 |
316 | HPY | 0.8565 |
317 | OK7 | 0.8564 |
318 | CXF | 0.8559 |
319 | MMQ | 0.8554 |
320 | 192 | 0.8550 |
321 | RSO | 0.8546 |
322 | 14J | 0.8540 |
323 | IZC | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 3dz6.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3dz6.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |