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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 214 families. | |||||
1 | 2WNC | Kd = 479 nM | TKT | C17 H20 N2 O2 | CN1[C@H]2C.... |
2 | 2XYT | Ki = 509.2 nM | TC9 | C37 H42 N2 O6 | C[N@H+]1CC.... |
3 | 2YMD | Kd = 693 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
4 | 4DBM | Kd = 24 nM | 0J0 | C22 H28 N5 O2 | CN1c2ccccc.... |
5 | 3C79 | Kd = 63 nM | IM4 | C9 H10 Cl N5 O2 | c1cc(ncc1C.... |
6 | 2BYR | Kd = 2.8 nM | MLK | C37 H50 N2 O10 | CC[N@]1C[C.... |
7 | 4XHE | - | 40P | C41 H61 N O9 | C[C@H]1C[C.... |
8 | 2WNJ | Kd = 330 nM | ZY7 | C19 H20 N2 O2 | COc1ccc(c(.... |
9 | 2BYS | Kd = 0.3 nM | LOB | C22 H27 N O2 | C[N@@]1[C@.... |
10 | 2PGZ | Kd = 1.8 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
11 | 2XNV | Ki = 5 uM | VU3 | C21 H24 N2 | c1ccc(cc1).... |
12 | 5AIN | - | QMR | C13 H13 N3 | c1cnc2cc3c.... |
13 | 2WN9 | Kd = 3 nM | ZY5 | C18 H18 N2 O2 | COc1cc(ccc.... |
14 | 3C84 | Kd = 14 nM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
15 | 2XYS | Ki = 38 nM | SY9 | C21 H22 N2 O2 | c1ccc2c(c1.... |
16 | 4BFQ | - | 083 | C21 H18 N6 | Cc1cc(nc(n.... |
17 | 4XK9 | - | 41J | C42 H63 N O7 | C[C@H]1C[C.... |
18 | 2YME | Kd = 343 uM | CWB | C18 H24 N4 O | Cn1c2ccccc.... |
19 | 5LXB | - | 7A9 | C19 H24 N2 O | c1cc2c3c(c.... |
20 | 4ZJS | - | 4P0 | C10 H15 N O | CC(=O)C1=C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 2WNC | Kd = 479 nM | TKT | C17 H20 N2 O2 | CN1[C@H]2C.... |
2 | 4DBM | Kd = 24 nM | 0J0 | C22 H28 N5 O2 | CN1c2ccccc.... |
3 | 3C79 | Kd = 63 nM | IM4 | C9 H10 Cl N5 O2 | c1cc(ncc1C.... |
4 | 2BYR | Kd = 2.8 nM | MLK | C37 H50 N2 O10 | CC[N@]1C[C.... |
5 | 4XHE | - | 40P | C41 H61 N O9 | C[C@H]1C[C.... |
6 | 2WNJ | Kd = 330 nM | ZY7 | C19 H20 N2 O2 | COc1ccc(c(.... |
7 | 2BYS | Kd = 0.3 nM | LOB | C22 H27 N O2 | C[N@@]1[C@.... |
8 | 2PGZ | Kd = 1.8 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
9 | 2XNV | Ki = 5 uM | VU3 | C21 H24 N2 | c1ccc(cc1).... |
10 | 5AIN | - | QMR | C13 H13 N3 | c1cnc2cc3c.... |
11 | 2WN9 | Kd = 3 nM | ZY5 | C18 H18 N2 O2 | COc1cc(ccc.... |
12 | 3C84 | Kd = 14 nM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
13 | 2XYS | Ki = 38 nM | SY9 | C21 H22 N2 O2 | c1ccc2c(c1.... |
14 | 4BFQ | - | 083 | C21 H18 N6 | Cc1cc(nc(n.... |
15 | 4XK9 | - | 41J | C42 H63 N O7 | C[C@H]1C[C.... |
16 | 2YME | Kd = 343 uM | CWB | C18 H24 N4 O | Cn1c2ccccc.... |
17 | 3ZDG | Ki = 0.079 uM | XRX | C9 H20 N2 O2 | C[C@H](CCO.... |
18 | 5J5I | Kd = 0.13 uM | 6GM | C22 H20 N6 O | c1ccnc(c1).... |
19 | 5J5F | Kd = 0.33 uM | 6GH | C20 H18 N6 S | c1ccnc(c1).... |
20 | 3ZDH | Ki = 0.045 uM | XRS | C10 H19 N3 O | C[C@H](CCO.... |
21 | 3WTL | Kd = 0.092 uM | N1Y | C10 H11 Cl N4 O2 | c1cc(ncc1C.... |
22 | 3WTO | Kd = 0.119 uM | N2Y | C9 H11 Cl N4 | [H]/N=C1/N.... |
23 | 3WTJ | Kd = 0.297 uM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
24 | 5AFJ | ic50 = 42 uM | 42R | C13 H14 Br N O2 | C[C@@]1(CN.... |
25 | 5AFL | ic50 = 398 uM | FHV | C12 H16 N2 O | Cc1cccc(c1.... |
26 | 5LXB | - | 7A9 | C19 H24 N2 O | c1cc2c3c(c.... |
27 | 4ZJS | - | 4P0 | C10 H15 N O | CC(=O)C1=C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | QMR | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2C2 | 0.9319 |
2 | DDU | 0.9204 |
3 | HNM | 0.9175 |
4 | TRP | 0.9110 |
5 | BQ2 | 0.9092 |
6 | EXD | 0.9090 |
7 | ZIQ | 0.9087 |
8 | 5AD | 0.9087 |
9 | 5GV | 0.9082 |
10 | THM | 0.9057 |
11 | AN3 | 0.9050 |
12 | KW8 | 0.9050 |
13 | EVF | 0.9049 |
14 | JVN | 0.9037 |
15 | LDC | 0.9037 |
16 | DUR | 0.9036 |
17 | MAJ | 0.9034 |
18 | CEG | 0.9033 |
19 | K7H | 0.9026 |
20 | S0E | 0.9026 |
21 | CSN | 0.9020 |
22 | DCZ | 0.9011 |
23 | 46M | 0.9005 |
24 | 6FB | 0.9005 |
25 | LR5 | 0.8995 |
26 | 9BF | 0.8982 |
27 | S7J | 0.8981 |
28 | WS7 | 0.8976 |
29 | MPU | 0.8976 |
30 | YOF | 0.8971 |
31 | 78U | 0.8969 |
32 | 5GT | 0.8969 |
33 | 3AE | 0.8968 |
34 | 9FL | 0.8965 |
35 | I5A | 0.8965 |
36 | JWB | 0.8953 |
37 | NHG | 0.8952 |
38 | FBF | 0.8950 |
39 | 2O6 | 0.8945 |
40 | 6QF | 0.8944 |
41 | OCZ | 0.8939 |
42 | CTE | 0.8928 |
43 | DTE | 0.8920 |
44 | Y4L | 0.8919 |
45 | 9R5 | 0.8915 |
46 | HNK | 0.8911 |
47 | ROI | 0.8903 |
48 | 4NZ | 0.8902 |
49 | X0U | 0.8897 |
50 | XK0 | 0.8895 |
51 | APS | 0.8893 |
52 | EN1 | 0.8889 |
53 | 30G | 0.8888 |
54 | KYN | 0.8885 |
55 | KWH | 0.8881 |
56 | 7AP | 0.8880 |
57 | 9CA | 0.8878 |
58 | CTN | 0.8877 |
59 | ANC | 0.8876 |
60 | ANF | 0.8876 |
61 | AA | 0.8871 |
62 | 1IT | 0.8871 |
63 | URI | 0.8869 |
64 | BIO | 0.8866 |
65 | XYA | 0.8865 |
66 | BZJ | 0.8863 |
67 | I2E | 0.8862 |
68 | JG8 | 0.8861 |
69 | SKF | 0.8861 |
70 | CNI | 0.8855 |
71 | 5UD | 0.8854 |
72 | WV7 | 0.8853 |
73 | HBI | 0.8850 |
74 | DX3 | 0.8849 |
75 | EYY | 0.8848 |
76 | N2M | 0.8846 |
77 | 0J4 | 0.8845 |
78 | TBN | 0.8845 |
79 | TMG | 0.8845 |
80 | WS6 | 0.8845 |
81 | 2J2 | 0.8842 |
82 | MXD | 0.8841 |
83 | EUE | 0.8839 |
84 | ADN | 0.8839 |
85 | RAB | 0.8838 |
86 | EV3 | 0.8837 |
87 | NOS | 0.8837 |
88 | FQX | 0.8830 |
89 | 657 | 0.8830 |
90 | BVA | 0.8826 |
91 | K97 | 0.8825 |
92 | ZEC | 0.8823 |
93 | MSR | 0.8818 |
94 | GF1 | 0.8817 |
95 | IAC | 0.8817 |
96 | C53 | 0.8814 |
97 | IOS | 0.8812 |
98 | GJP | 0.8811 |
99 | 2J5 | 0.8809 |
100 | 2K8 | 0.8807 |
101 | N1E | 0.8806 |
102 | 3L1 | 0.8804 |
103 | AM4 | 0.8802 |
104 | ZYV | 0.8801 |
105 | 15N | 0.8799 |
106 | EYJ | 0.8798 |
107 | BNL | 0.8796 |
108 | 1VK | 0.8795 |
109 | H2B | 0.8789 |
110 | XDK | 0.8789 |
111 | 4RU | 0.8787 |
112 | E01 | 0.8784 |
113 | BZ2 | 0.8781 |
114 | EYV | 0.8777 |
115 | ESP | 0.8776 |
116 | 6NT | 0.8774 |
117 | 344 | 0.8772 |
118 | PJW | 0.8770 |
119 | TYR | 0.8768 |
120 | IOP | 0.8767 |
121 | 6FZ | 0.8766 |
122 | DBS | 0.8764 |
123 | 3Y7 | 0.8764 |
124 | 3D1 | 0.8763 |
125 | OJD | 0.8763 |
126 | 428 | 0.8762 |
127 | GF4 | 0.8761 |
128 | THA | 0.8760 |
129 | RLG | 0.8759 |
130 | 0A1 | 0.8756 |
131 | FHC | 0.8754 |
132 | 1HN | 0.8754 |
133 | 15E | 0.8748 |
134 | 0JD | 0.8744 |
135 | JOV | 0.8744 |
136 | ESX | 0.8740 |
137 | 9UL | 0.8738 |
138 | 3NY | 0.8738 |
139 | YIE | 0.8737 |
140 | MDR | 0.8737 |
141 | 4CM | 0.8736 |
142 | CPZ | 0.8736 |
143 | 4NS | 0.8735 |
144 | JP2 | 0.8735 |
145 | HBO | 0.8733 |
146 | 2ZM | 0.8732 |
147 | ST3 | 0.8729 |
148 | BGU | 0.8727 |
149 | J4K | 0.8724 |
150 | 7MK | 0.8723 |
151 | SG2 | 0.8723 |
152 | JAW | 0.8723 |
153 | X0V | 0.8719 |
154 | 0HN | 0.8719 |
155 | 0BP | 0.8715 |
156 | SYE | 0.8714 |
157 | M4S | 0.8713 |
158 | 3J8 | 0.8713 |
159 | IYR | 0.8708 |
160 | 1F1 | 0.8706 |
161 | BPY | 0.8704 |
162 | 2LB | 0.8704 |
163 | 3N1 | 0.8704 |
164 | IFP | 0.8704 |
165 | ZYR | 0.8699 |
166 | 0HO | 0.8697 |
167 | JF4 | 0.8696 |
168 | ZZZ | 0.8695 |
169 | HRM | 0.8694 |
170 | XCG | 0.8692 |
171 | S7A | 0.8692 |
172 | IMH | 0.8688 |
173 | X11 | 0.8687 |
174 | 3PF | 0.8686 |
175 | 6NI | 0.8685 |
176 | RGY | 0.8684 |
177 | DPT | 0.8684 |
178 | 4FH | 0.8684 |
179 | E1K | 0.8684 |
180 | T1N | 0.8683 |
181 | A5K | 0.8681 |
182 | EGR | 0.8681 |
183 | 4SX | 0.8679 |
184 | UA2 | 0.8679 |
185 | 27B | 0.8678 |
186 | 0J2 | 0.8676 |
187 | 14N | 0.8675 |
188 | PRL | 0.8675 |
189 | QBP | 0.8675 |
190 | TT4 | 0.8673 |
191 | HX4 | 0.8672 |
192 | ICB | 0.8669 |
193 | 78P | 0.8668 |
194 | IWT | 0.8666 |
195 | 9ZE | 0.8665 |
196 | Z13 | 0.8664 |
197 | NIY | 0.8663 |
198 | 4NP | 0.8660 |
199 | AAN | 0.8659 |
200 | 2TU | 0.8659 |
201 | L22 | 0.8657 |
202 | HHH | 0.8650 |
203 | BHQ | 0.8648 |
204 | ABI | 0.8648 |
205 | LQ2 | 0.8648 |
206 | 3VX | 0.8648 |
207 | MP5 | 0.8647 |
208 | 848 | 0.8644 |
209 | 3A9 | 0.8643 |
210 | MPV | 0.8643 |
211 | BZE | 0.8642 |
212 | PEY | 0.8641 |
213 | E1N | 0.8640 |
214 | 3ZB | 0.8639 |
215 | UNJ | 0.8637 |
216 | 1Z6 | 0.8637 |
217 | EKZ | 0.8637 |
218 | 5JT | 0.8637 |
219 | 54Z | 0.8637 |
220 | BCU | 0.8637 |
221 | HA5 | 0.8636 |
222 | PPY | 0.8636 |
223 | X48 | 0.8635 |
224 | CH9 | 0.8634 |
225 | 4BY | 0.8634 |
226 | XRS | 0.8631 |
227 | AH9 | 0.8631 |
228 | SNU | 0.8630 |
229 | M02 | 0.8630 |
230 | 8XL | 0.8627 |
231 | TMC | 0.8626 |
232 | FCR | 0.8623 |
233 | 363 | 0.8621 |
234 | 4I8 | 0.8620 |
235 | H7S | 0.8620 |
236 | 5NI | 0.8620 |
237 | KTJ | 0.8618 |
238 | DNQ | 0.8618 |
239 | BDT | 0.8617 |
240 | 4I5 | 0.8615 |
241 | PHE | 0.8611 |
242 | TXW | 0.8610 |
243 | JDN | 0.8609 |
244 | XXP | 0.8604 |
245 | 0J5 | 0.8604 |
246 | D5X | 0.8602 |
247 | 8U3 | 0.8602 |
248 | 1A7 | 0.8601 |
249 | XDE | 0.8595 |
250 | F4E | 0.8592 |
251 | N91 | 0.8586 |
252 | 4JC | 0.8583 |
253 | 4NB | 0.8582 |
254 | IPD | 0.8581 |
255 | JVQ | 0.8581 |
256 | JF1 | 0.8578 |
257 | LT2 | 0.8576 |
258 | D2G | 0.8575 |
259 | EV2 | 0.8572 |
260 | NPS | 0.8569 |
261 | 7VP | 0.8567 |
262 | 12T | 0.8560 |
263 | HUP | 0.8559 |
264 | FDR | 0.8558 |
265 | 5VL | 0.8557 |
266 | JB8 | 0.8554 |
267 | NAG | 0.8552 |
268 | KTW | 0.8552 |
269 | 5QY | 0.8550 |
270 | S60 | 0.8548 |
271 | NPX | 0.8548 |
272 | NCT | 0.8544 |
273 | 4V2 | 0.8540 |
274 | 0FK | 0.8532 |
275 | N4E | 0.8520 |
276 | L99 | 0.8519 |
This union binding pocket(no: 7) in the query (biounit: 2bys.bio1) has 140 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4AFH | L0B | 33.0396 |
2 | 4AFH | L0B | 33.0396 |
This union binding pocket(no: 9) in the query (biounit: 2bys.bio1) has 150 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4AFH | L0B | 33.0396 |
2 | 4AFH | L0B | 33.0396 |