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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
16 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
17 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
18 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
19 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
20 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
21 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 4TVJ | ic50 = 251 nM | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
16 | 4ZZY | Kd = 1.389 uM | D7N | C20 H24 F3 N3 O2 | c1c(cc(c2c.... |
17 | 4PJV | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
18 | 3KCZ | - | 3AB | C7 H8 N2 O | c1cc(cc(c1.... |
19 | 3KJD | Kd = 2.9 nM | 78P | C13 H16 N4 O | C[C@@]1(CC.... |
20 | 4ZZX | Kd = 0.125 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
21 | 3C4H | Kd = 2 uM | DRL | C8 H10 N2 O S | CC1=NC2=C(.... |
22 | 4L7P | - | M95 | C20 H19 N3 O3 | c1ccc(cc1).... |
23 | 4L7L | - | 1VA | C20 H21 N3 O3 | c1ccc(cc1).... |
24 | 4L7N | - | 1VB | C19 H20 N4 O4 S | C[C@@H](c1.... |
25 | 4L7R | - | M00 | C15 H19 N3 O3 | CC[C@@H](C.... |
26 | 4L6Z | - | 1DC | C18 H18 N4 O2 | C[C@@H](c1.... |
27 | 3FHB | Kd > 2 uM | GAB | C7 H7 N O2 | c1cc(cc(c1.... |
28 | 4L70 | - | 1V9 | C20 H21 N3 O2 | CC[C@@H](c.... |
29 | 4GV4 | ic50 = 0.89 uM | MEJ | C19 H19 N3 O2 | C[C@@H](c1.... |
30 | 4GV0 | ic50 = 1.3 uM | 8ME | C18 H18 N4 O2 | C[C@@H](c1.... |
31 | 4L7O | - | 1VD | C22 H21 N5 O2 | C[C@@H](c1.... |
32 | 4GV2 | - | 5ME | C18 H18 N4 O2 | C[C@H](c1c.... |
33 | 6NRG | ic50 = 56 nM | KYY | C17 H12 F N5 O3 | c1cc2c(c(o.... |
34 | 6NRJ | ic50 = 36 nM | KYJ | C26 H20 N4 O4 | c1ccc2c(c1.... |
35 | 6NRI | ic50 = 27 nM | KYM | C25 H21 N5 O4 | c1cc2c(c(c.... |
36 | 6NTU | - | GLC FRU | n/a | n/a |
37 | 6NRF | ic50 = 18 nM | KYV | C28 H25 N5 O4 | c1ccc2c(c1.... |
38 | 6NRH | ic50 = 55 nM | KYP | C25 H23 N5 O4 | c1cc2c(c(o.... |
39 | 6BHV | Kd = 5.87 uM | DQV | C22 H28 N6 O14 P2 | c1cc(cc(c1.... |
40 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
41 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
42 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
43 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
44 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
45 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
46 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | L3L | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6TJ | 0.9728 |
2 | NU3 | 0.9403 |
3 | 78P | 0.9392 |
4 | 3JC | 0.9392 |
5 | KMP | 0.9381 |
6 | 4L2 | 0.9379 |
7 | AGI | 0.9358 |
8 | NYJ | 0.9347 |
9 | F40 | 0.9343 |
10 | 57D | 0.9328 |
11 | NAR | 0.9316 |
12 | 3WJ | 0.9316 |
13 | LP8 | 0.9290 |
14 | KWB | 0.9285 |
15 | IDD | 0.9272 |
16 | DFL | 0.9248 |
17 | 7L4 | 0.9245 |
18 | 8HH | 0.9242 |
19 | 0OK | 0.9238 |
20 | ZRL | 0.9208 |
21 | JOH | 0.9204 |
22 | 5NN | 0.9203 |
23 | DDC | 0.9203 |
24 | 3F4 | 0.9203 |
25 | VT3 | 0.9199 |
26 | RGK | 0.9196 |
27 | Q5M | 0.9195 |
28 | M3W | 0.9195 |
29 | 4K2 | 0.9195 |
30 | EMU | 0.9191 |
31 | 3GX | 0.9189 |
32 | 0SY | 0.9189 |
33 | CWE | 0.9183 |
34 | WLH | 0.9181 |
35 | 3WN | 0.9176 |
36 | 3WO | 0.9176 |
37 | P4L | 0.9175 |
38 | BIE | 0.9170 |
39 | SZ5 | 0.9169 |
40 | H32 | 0.9165 |
41 | CUH | 0.9157 |
42 | 20D | 0.9150 |
43 | B4L | 0.9148 |
44 | DXK | 0.9144 |
45 | AJ4 | 0.9142 |
46 | JO8 | 0.9139 |
47 | 3WL | 0.9138 |
48 | 4F8 | 0.9132 |
49 | CC6 | 0.9129 |
50 | 3WK | 0.9123 |
51 | 25F | 0.9122 |
52 | E9L | 0.9121 |
53 | YE7 | 0.9115 |
54 | 7EH | 0.9115 |
55 | 5WT | 0.9113 |
56 | 9CE | 0.9110 |
57 | 1Q4 | 0.9107 |
58 | 6BK | 0.9104 |
59 | DFV | 0.9093 |
60 | CHQ | 0.9093 |
61 | FNT | 0.9092 |
62 | JO5 | 0.9090 |
63 | ZRK | 0.9090 |
64 | CMG | 0.9089 |
65 | 3D8 | 0.9089 |
66 | GI1 | 0.9082 |
67 | HA6 | 0.9079 |
68 | LU2 | 0.9078 |
69 | OA4 | 0.9078 |
70 | H2W | 0.9077 |
71 | Y70 | 0.9077 |
72 | 1V1 | 0.9075 |
73 | 1V4 | 0.9073 |
74 | CDJ | 0.9071 |
75 | 6DQ | 0.9070 |
76 | 15Q | 0.9069 |
77 | W8L | 0.9061 |
78 | 1V3 | 0.9058 |
79 | NIY | 0.9057 |
80 | AKD | 0.9054 |
81 | IK1 | 0.9051 |
82 | 5P3 | 0.9050 |
83 | FSU | 0.9047 |
84 | KLV | 0.9046 |
85 | DX7 | 0.9044 |
86 | 6QT | 0.9043 |
87 | AVX | 0.9039 |
88 | A73 | 0.9038 |
89 | 12R | 0.9038 |
90 | LI4 | 0.9036 |
91 | 697 | 0.9036 |
92 | WUB | 0.9035 |
93 | CUT | 0.9032 |
94 | ALR | 0.9029 |
95 | NKI | 0.9024 |
96 | LVY | 0.9020 |
97 | BZC | 0.9018 |
98 | AJD | 0.9015 |
99 | JTA | 0.8998 |
100 | GNV | 0.8994 |
101 | A4V | 0.8993 |
102 | 5E1 | 0.8986 |
103 | DE7 | 0.8982 |
104 | OUA | 0.8982 |
105 | X0T | 0.8978 |
106 | 6JO | 0.8978 |
107 | DQH | 0.8977 |
108 | 92O | 0.8977 |
109 | 4CN | 0.8968 |
110 | 3DE | 0.8968 |
111 | MUX | 0.8965 |
112 | QC1 | 0.8964 |
113 | SAK | 0.8962 |
114 | 1FL | 0.8961 |
115 | 6NZ | 0.8959 |
116 | GNY | 0.8955 |
117 | MBP | 0.8954 |
118 | O9Q | 0.8953 |
119 | XDL XYP | 0.8950 |
120 | 4GP | 0.8949 |
121 | XIL | 0.8948 |
122 | S0G | 0.8942 |
123 | H4B | 0.8939 |
124 | 5DE | 0.8938 |
125 | RVE | 0.8937 |
126 | YEX | 0.8937 |
127 | 5E5 | 0.8936 |
128 | HKK | 0.8936 |
129 | P9I | 0.8933 |
130 | 555 | 0.8930 |
131 | XIF XYP | 0.8930 |
132 | GEN | 0.8928 |
133 | TGW | 0.8928 |
134 | 2QU | 0.8926 |
135 | U14 | 0.8925 |
136 | 6XC | 0.8924 |
137 | 5B2 | 0.8924 |
138 | XYP XIF | 0.8923 |
139 | 4FF | 0.8922 |
140 | MUR | 0.8922 |
141 | 6GP | 0.8921 |
142 | CFK | 0.8920 |
143 | FY8 | 0.8919 |
144 | 6ZW | 0.8919 |
145 | UN4 | 0.8918 |
146 | E6Q | 0.8915 |
147 | 7VF | 0.8914 |
148 | KP2 | 0.8914 |
149 | 1QV | 0.8913 |
150 | 6DE | 0.8913 |
151 | GNJ | 0.8910 |
152 | ZEA | 0.8910 |
153 | AJ6 | 0.8906 |
154 | 6J3 | 0.8905 |
155 | 7A9 | 0.8905 |
156 | MHB | 0.8905 |
157 | 0J4 | 0.8904 |
158 | 3QI | 0.8904 |
159 | PP1 | 0.8903 |
160 | QUE | 0.8901 |
161 | TQ1 | 0.8901 |
162 | XYP XDN | 0.8900 |
163 | XYP XYP | 0.8898 |
164 | DH2 | 0.8897 |
165 | 3Y7 | 0.8894 |
166 | B2L | 0.8889 |
167 | 5WS | 0.8887 |
168 | WL3 | 0.8886 |
169 | ABJ | 0.8884 |
170 | H35 | 0.8884 |
171 | 2QV | 0.8883 |
172 | 553 | 0.8881 |
173 | 5E2 | 0.8875 |
174 | 3AK | 0.8870 |
175 | F5C | 0.8869 |
176 | UQ1 | 0.8868 |
177 | MRI | 0.8867 |
178 | OX2 | 0.8867 |
179 | 2AN | 0.8865 |
180 | C4E | 0.8865 |
181 | 2LX | 0.8862 |
182 | BIO | 0.8862 |
183 | FCW | 0.8859 |
184 | UAY | 0.8859 |
185 | G6P | 0.8857 |
186 | CJZ | 0.8857 |
187 | 5E4 | 0.8857 |
188 | FHI | 0.8855 |
189 | TR4 | 0.8853 |
190 | PLP | 0.8851 |
191 | PP2 | 0.8850 |
192 | 2WU | 0.8849 |
193 | 4YF | 0.8848 |
194 | JSX | 0.8843 |
195 | NPZ | 0.8839 |
196 | S98 | 0.8838 |
197 | KF5 | 0.8836 |
198 | C93 | 0.8832 |
199 | EV2 | 0.8831 |
200 | ZHA | 0.8830 |
201 | 7NU | 0.8828 |
202 | 509 | 0.8827 |
203 | SGW | 0.8827 |
204 | AYS | 0.8826 |
205 | 2GQ | 0.8826 |
206 | LWS | 0.8826 |
207 | NW1 | 0.8823 |
208 | AZC | 0.8822 |
209 | Q0K | 0.8819 |
210 | GVI | 0.8819 |
211 | BJ4 | 0.8819 |
212 | JNW | 0.8817 |
213 | 5F1 | 0.8814 |
214 | PNX | 0.8813 |
215 | 4GU | 0.8812 |
216 | KOM | 0.8809 |
217 | 8OB | 0.8807 |
218 | BGU | 0.8805 |
219 | FF2 | 0.8805 |
220 | 4YE | 0.8804 |
221 | GA2 | 0.8803 |
222 | CC5 | 0.8802 |
223 | CR1 | 0.8802 |
224 | 5AD | 0.8801 |
225 | 2P3 | 0.8801 |
226 | XDN XYP | 0.8800 |
227 | ZSP | 0.8800 |
228 | 56N | 0.8796 |
229 | NTF | 0.8796 |
230 | PIQ | 0.8796 |
231 | 5DN | 0.8794 |
232 | 2JX | 0.8793 |
233 | 4G2 | 0.8792 |
234 | AUY | 0.8791 |
235 | 3CA | 0.8789 |
236 | ELH | 0.8789 |
237 | CBE | 0.8788 |
238 | H2B | 0.8787 |
239 | RUG | 0.8786 |
240 | S1D | 0.8786 |
241 | CG | 0.8784 |
242 | 244 | 0.8783 |
243 | 2FA | 0.8783 |
244 | D64 | 0.8782 |
245 | 833 | 0.8778 |
246 | 5V7 | 0.8776 |
247 | AB3 | 0.8774 |
248 | 47V | 0.8770 |
249 | MYC | 0.8770 |
250 | BG6 | 0.8770 |
251 | NAL | 0.8770 |
252 | AP6 | 0.8767 |
253 | OSY | 0.8763 |
254 | TRP | 0.8760 |
255 | 5I5 | 0.8760 |
256 | 6HP | 0.8760 |
257 | H75 | 0.8760 |
258 | EF2 | 0.8760 |
259 | M3F | 0.8757 |
260 | MXD | 0.8757 |
261 | FER | 0.8756 |
262 | BBY | 0.8756 |
263 | ID8 | 0.8753 |
264 | DT7 | 0.8751 |
265 | IMK | 0.8749 |
266 | VBC | 0.8748 |
267 | HFT | 0.8748 |
268 | NPL | 0.8747 |
269 | HO4 | 0.8746 |
270 | TLF | 0.8742 |
271 | BDI | 0.8741 |
272 | MIL | 0.8739 |
273 | B52 | 0.8739 |
274 | 2D2 | 0.8739 |
275 | 22L | 0.8738 |
276 | U12 | 0.8738 |
277 | TQ3 | 0.8738 |
278 | NEU | 0.8735 |
279 | OSB | 0.8735 |
280 | SGV | 0.8734 |
281 | 4RV | 0.8734 |
282 | 7M5 | 0.8734 |
283 | B2E | 0.8734 |
284 | JRE | 0.8733 |
285 | H52 | 0.8730 |
286 | V2Z | 0.8730 |
287 | JOB | 0.8729 |
288 | 0DF | 0.8729 |
289 | 4R1 | 0.8727 |
290 | ADN | 0.8725 |
291 | 9F8 | 0.8724 |
292 | M77 | 0.8722 |
293 | KTM | 0.8722 |
294 | HBI | 0.8721 |
295 | 5KN | 0.8718 |
296 | BHS | 0.8718 |
297 | FYR | 0.8716 |
298 | ZIP | 0.8713 |
299 | QME | 0.8708 |
300 | 6EL | 0.8708 |
301 | 0FR | 0.8708 |
302 | 51Y | 0.8707 |
303 | F4U | 0.8705 |
304 | R4E | 0.8704 |
305 | CL9 | 0.8704 |
306 | XYS XYP | 0.8703 |
307 | GMP | 0.8702 |
308 | GI4 | 0.8701 |
309 | 0OP | 0.8701 |
310 | U13 | 0.8699 |
311 | FT6 | 0.8697 |
312 | XTS | 0.8696 |
313 | P2L | 0.8696 |
314 | N2M | 0.8696 |
315 | 4AB | 0.8694 |
316 | CJB | 0.8694 |
317 | IKY | 0.8690 |
318 | 96Z | 0.8688 |
319 | 9FH | 0.8687 |
320 | GNG | 0.8686 |
321 | 5WK | 0.8682 |
322 | 2L2 | 0.8681 |
323 | X8E | 0.8681 |
324 | ZJB | 0.8681 |
325 | MG7 | 0.8680 |
326 | H7S | 0.8679 |
327 | AQN | 0.8677 |
328 | 5WM | 0.8677 |
329 | 34L | 0.8672 |
330 | 22T | 0.8671 |
331 | SU9 | 0.8670 |
332 | TH1 | 0.8670 |
333 | MQ1 | 0.8667 |
334 | OUG | 0.8664 |
335 | GJK | 0.8663 |
336 | O9Z | 0.8662 |
337 | LM7 | 0.8660 |
338 | UN9 | 0.8660 |
339 | NEO | 0.8657 |
340 | 53X | 0.8656 |
341 | 3D1 | 0.8656 |
342 | 5FD | 0.8654 |
343 | BHM | 0.8654 |
344 | PE2 | 0.8650 |
345 | B4O | 0.8647 |
346 | UX0 | 0.8647 |
347 | 8UY | 0.8645 |
348 | 1HP | 0.8641 |
349 | Q9G | 0.8640 |
350 | 5XL | 0.8638 |
351 | NXY | 0.8633 |
352 | AVA | 0.8632 |
353 | SIJ | 0.8631 |
354 | 26A | 0.8630 |
355 | 2LT | 0.8630 |
356 | 3JM | 0.8626 |
357 | AXX | 0.8626 |
358 | PMP | 0.8624 |
359 | 5P7 | 0.8622 |
360 | 47X | 0.8620 |
361 | XYP XYS | 0.8619 |
362 | Y0V | 0.8618 |
363 | DT9 | 0.8618 |
364 | 6UW | 0.8616 |
365 | 3L1 | 0.8611 |
366 | AH3 | 0.8611 |
367 | Q8G | 0.8610 |
368 | F18 | 0.8609 |
369 | Q8D | 0.8609 |
370 | 3RH | 0.8608 |
371 | AC2 | 0.8606 |
372 | NOC | 0.8603 |
373 | DKX | 0.8603 |
374 | CTE | 0.8602 |
375 | Q9T | 0.8601 |
376 | ITE | 0.8598 |
377 | YIP | 0.8598 |
378 | KTV | 0.8593 |
379 | 2XY | 0.8593 |
380 | SQM | 0.8589 |
381 | RGG | 0.8587 |
382 | S60 | 0.8584 |
383 | GAT | 0.8580 |
384 | GQZ | 0.8578 |
385 | DL6 | 0.8572 |
386 | ARJ | 0.8571 |
387 | YE6 | 0.8567 |
388 | CDY | 0.8564 |
389 | 7GP | 0.8563 |
390 | P83 | 0.8555 |
391 | 5YA | 0.8553 |
392 | AD3 | 0.8532 |
393 | 977 | 0.8519 |
394 | 9KZ | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 4pjt.bio2) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
This union binding pocket(no: 2) in the query (biounit: 4pjt.bio3) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
This union binding pocket(no: 3) in the query (biounit: 4pjt.bio4) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
This union binding pocket(no: 4) in the query (biounit: 4pjt.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3ESS | 18N | 5.65217 |
2 | 6W65 | T9D | 10.1083 |