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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 2 families. | |||||
1 | 3V7Y | - | A3N | C13 H16 N6 O3 | C#CCNC[C@@.... |
2 | 2Q5F | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
3 | 6RGD | - | K2W | C24 H29 N11 O7 | c1nc(c2c(n.... |
4 | 3V8M | - | Z8B | C10 H11 Br N8 O3 | c1nc(c2c(n.... |
5 | 6RC5 | - | JYB | C9 H9 N5 | CCn1c(nc2c.... |
6 | 6RBX | - | JYT | C8 H10 Br N5 O | c1nc(c2c(n.... |
7 | 3V8P | - | ZNB | C22 H26 Br N14 O7 S | c1nc(c2c(n.... |
8 | 3V7W | - | ZAS | C10 H13 N8 O3 | c1nc(c2c(n.... |
9 | 6RBO | - | JXQ | C11 H13 N5 | C#CCCCCn1c.... |
10 | 4DY6 | - | A22 | C20 H27 N10 O16 P3 | c1nc(c2c(n.... |
11 | 6RR2 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
12 | 3V80 | - | AOC | C13 H15 N5 O4 | C#CCOC[C@@.... |
13 | 2I2A | Ki = 0.04 mM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
14 | 6RG8 | - | K2K | C19 H21 N11 O3 | c1nc(c2c(n.... |
15 | 6RBV | - | JYE | C8 H9 Br N8 | c1nc(c2c(n.... |
16 | 2I2D | - | A2D | C20 H26 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6RGB | - | K38 | C23 H27 N11 O7 | c1nc(c2c(n.... |
18 | 5DHQ | Ki = 2 uM | 5AK | C20 H23 Br N6 O5 S | c1cc(cc(c1.... |
19 | 3V8R | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
20 | 2I2C | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
21 | 6RGC | - | K3H | C24 H29 N11 O7 | CN(CC#Cc1n.... |
22 | 6RBU | - | JYK | C7 H7 Br N8 | c1nc(c2c(n.... |
23 | 2I2F | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
24 | 6RBY | - | JYW | C9 H12 Br N5 O | c1nc(c2c(n.... |
25 | 2I29 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
26 | 6RC3 | - | JXW | C8 H10 Cl N5 | Cc1nc2c(nc.... |
27 | 3V8Q | - | 5N5 | C10 H14 N6 O3 | c1nc(c2c(n.... |
28 | 6RBP | - | JYN | C9 H12 N8 | c1nc(c2c(n.... |
29 | 6RC4 | - | JXZ | C8 H11 N5 O | Cc1nc2c(nc.... |
30 | 6RBS | - | JXT | C10 H10 Br N5 | C#CCCCn1c2.... |
31 | 6RBR | - | JXN | C7 H8 Br N5 | CCn1c2c(c(.... |
32 | 6RG9 | - | K3K | C23 H26 N10 O8 | c1nc(c2c(n.... |
33 | 2I2B | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
34 | 5DHR | Ki = 23 uM | 5AJ | C21 H23 N11 O4 S | c1ccc2c(c1.... |
35 | 6RGA | - | K3E | C23 H27 N11 O7 | c1nc(c2c(n.... |
36 | 6RBW | - | JXB | C9 H11 Br N8 | c1nc(c2c(n.... |
37 | 6RBQ | - | JYQ | C11 H15 N5 O S | CC(=O)SCCC.... |
38 | 6RBZ | - | JXK | C8 H11 Br N6 | c1nc(c2c(n.... |
39 | 3V8N | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
40 | 5DHP | Ki = 140 uM | 5AQ | C20 H24 N6 O5 S | c1ccc(cc1).... |
41 | 6RC2 | - | JY2 | C11 H13 N5 | Cc1nc2c(nc.... |
42 | 6RG7 | - | K2H | C19 H21 N11 O3 | CN(CC#Cc1[.... |
43 | 5DHU | Ki = 0.5 uM | 5A8 | C22 H24 N10 O4 S | c1ccc2c(c1.... |
44 | 6RC6 | - | JY5 | C13 H15 N5 O2 | c1nc(c2c(n.... |
45 | 3V7U | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3V7Y | - | A3N | C13 H16 N6 O3 | C#CCNC[C@@.... |
2 | 2Q5F | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
3 | 6RGD | - | K2W | C24 H29 N11 O7 | c1nc(c2c(n.... |
4 | 3V8M | - | Z8B | C10 H11 Br N8 O3 | c1nc(c2c(n.... |
5 | 6RC5 | - | JYB | C9 H9 N5 | CCn1c(nc2c.... |
6 | 6RBX | - | JYT | C8 H10 Br N5 O | c1nc(c2c(n.... |
7 | 3V8P | - | ZNB | C22 H26 Br N14 O7 S | c1nc(c2c(n.... |
8 | 3V7W | - | ZAS | C10 H13 N8 O3 | c1nc(c2c(n.... |
9 | 6RBO | - | JXQ | C11 H13 N5 | C#CCCCCn1c.... |
10 | 4DY6 | - | A22 | C20 H27 N10 O16 P3 | c1nc(c2c(n.... |
11 | 6RR2 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
12 | 3V80 | - | AOC | C13 H15 N5 O4 | C#CCOC[C@@.... |
13 | 2I2A | Ki = 0.04 mM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
14 | 6RG8 | - | K2K | C19 H21 N11 O3 | c1nc(c2c(n.... |
15 | 6RBV | - | JYE | C8 H9 Br N8 | c1nc(c2c(n.... |
16 | 2I2D | - | A2D | C20 H26 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6RGB | - | K38 | C23 H27 N11 O7 | c1nc(c2c(n.... |
18 | 5DHQ | Ki = 2 uM | 5AK | C20 H23 Br N6 O5 S | c1cc(cc(c1.... |
19 | 3V8R | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
20 | 2I2C | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
21 | 6RGC | - | K3H | C24 H29 N11 O7 | CN(CC#Cc1n.... |
22 | 6RBU | - | JYK | C7 H7 Br N8 | c1nc(c2c(n.... |
23 | 2I2F | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
24 | 6RBY | - | JYW | C9 H12 Br N5 O | c1nc(c2c(n.... |
25 | 2I29 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
26 | 6RC3 | - | JXW | C8 H10 Cl N5 | Cc1nc2c(nc.... |
27 | 3V8Q | - | 5N5 | C10 H14 N6 O3 | c1nc(c2c(n.... |
28 | 6RBP | - | JYN | C9 H12 N8 | c1nc(c2c(n.... |
29 | 6RC4 | - | JXZ | C8 H11 N5 O | Cc1nc2c(nc.... |
30 | 6RBS | - | JXT | C10 H10 Br N5 | C#CCCCn1c2.... |
31 | 6RBR | - | JXN | C7 H8 Br N5 | CCn1c2c(c(.... |
32 | 6RG9 | - | K3K | C23 H26 N10 O8 | c1nc(c2c(n.... |
33 | 2I2B | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
34 | 5DHR | Ki = 23 uM | 5AJ | C21 H23 N11 O4 S | c1ccc2c(c1.... |
35 | 6RGA | - | K3E | C23 H27 N11 O7 | c1nc(c2c(n.... |
36 | 6RBW | - | JXB | C9 H11 Br N8 | c1nc(c2c(n.... |
37 | 6RBQ | - | JYQ | C11 H15 N5 O S | CC(=O)SCCC.... |
38 | 6RBZ | - | JXK | C8 H11 Br N6 | c1nc(c2c(n.... |
39 | 3V8N | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
40 | 5DHP | Ki = 140 uM | 5AQ | C20 H24 N6 O5 S | c1ccc(cc1).... |
41 | 6RC2 | - | JY2 | C11 H13 N5 | Cc1nc2c(nc.... |
42 | 6RG7 | - | K2H | C19 H21 N11 O3 | CN(CC#Cc1[.... |
43 | 5DHU | Ki = 0.5 uM | 5A8 | C22 H24 N10 O4 S | c1ccc2c(c1.... |
44 | 6RC6 | - | JY5 | C13 H15 N5 O2 | c1nc(c2c(n.... |
45 | 3V7U | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GSY | 0.9438 |
2 | EV3 | 0.9388 |
3 | TSR | 0.9342 |
4 | 0LH | 0.9335 |
5 | TSS | 0.9332 |
6 | APS | 0.9330 |
7 | IAC | 0.9297 |
8 | AC2 | 0.9275 |
9 | NVU | 0.9266 |
10 | ARP | 0.9262 |
11 | 5WU | 0.9262 |
12 | SRO | 0.9256 |
13 | IOP | 0.9245 |
14 | TRP | 0.9226 |
15 | 2K8 | 0.9214 |
16 | 9BF | 0.9212 |
17 | LZB | 0.9206 |
18 | PQZ | 0.9197 |
19 | DTE | 0.9195 |
20 | BK9 | 0.9182 |
21 | EV2 | 0.9179 |
22 | RZH | 0.9175 |
23 | KF5 | 0.9174 |
24 | ZZZ | 0.9161 |
25 | X04 | 0.9158 |
26 | NLA | 0.9151 |
27 | PH2 | 0.9143 |
28 | LTN | 0.9143 |
29 | FXH | 0.9134 |
30 | 4OG | 0.9130 |
31 | 7MX | 0.9129 |
32 | CTE | 0.9124 |
33 | 091 | 0.9109 |
34 | DTR | 0.9108 |
35 | 5NS | 0.9107 |
36 | 57O | 0.9105 |
37 | 9LI | 0.9102 |
38 | CIY | 0.9095 |
39 | NFM | 0.9092 |
40 | SBK | 0.9086 |
41 | F52 | 0.9086 |
42 | OIA | 0.9084 |
43 | 6VD | 0.9075 |
44 | ONZ | 0.9068 |
45 | CX4 | 0.9057 |
46 | 2EC | 0.9052 |
47 | GC2 | 0.9051 |
48 | 96Z | 0.9051 |
49 | 4Z9 | 0.9049 |
50 | 1QP | 0.9048 |
51 | M3Q | 0.9047 |
52 | IOS | 0.9042 |
53 | MQB | 0.9041 |
54 | HHR | 0.9040 |
55 | 5V7 | 0.9034 |
56 | 3IL | 0.9030 |
57 | I2E | 0.9030 |
58 | 8Y7 | 0.9027 |
59 | 8GK | 0.9027 |
60 | E7R | 0.9027 |
61 | 96R | 0.9027 |
62 | 2SX | 0.9026 |
63 | FWD | 0.9022 |
64 | KWH | 0.9018 |
65 | 2LY | 0.9012 |
66 | SYE | 0.9003 |
67 | JHY | 0.9003 |
68 | MFZ | 0.9001 |
69 | 8RK | 0.9000 |
70 | LZ2 | 0.8995 |
71 | 22L | 0.8991 |
72 | PQ0 | 0.8986 |
73 | MD6 | 0.8985 |
74 | ALN | 0.8984 |
75 | 9F8 | 0.8977 |
76 | QMS | 0.8975 |
77 | NPL | 0.8974 |
78 | IBM | 0.8973 |
79 | YKG | 0.8968 |
80 | NWD | 0.8963 |
81 | 0W8 | 0.8962 |
82 | PRF | 0.8959 |
83 | PVQ | 0.8958 |
84 | NBV | 0.8955 |
85 | CWD | 0.8952 |
86 | 9KZ | 0.8952 |
87 | PVK | 0.8952 |
88 | OUB | 0.8952 |
89 | S0G | 0.8952 |
90 | LOG | 0.8951 |
91 | C0W | 0.8948 |
92 | NAG | 0.8948 |
93 | GZV | 0.8946 |
94 | HPT | 0.8946 |
95 | 5NE | 0.8945 |
96 | JYB | 0.8945 |
97 | 6HP | 0.8943 |
98 | EY7 | 0.8940 |
99 | DHC | 0.8940 |
100 | ZON | 0.8938 |
101 | MS0 | 0.8938 |
102 | PMP | 0.8938 |
103 | LTM | 0.8937 |
104 | EGR | 0.8935 |
105 | KP2 | 0.8931 |
106 | K82 | 0.8929 |
107 | FT6 | 0.8929 |
108 | X0T | 0.8928 |
109 | QBM | 0.8928 |
110 | CGW | 0.8928 |
111 | BWD | 0.8923 |
112 | KYA | 0.8922 |
113 | AMR | 0.8921 |
114 | B0K | 0.8919 |
115 | N7I | 0.8919 |
116 | ICO | 0.8918 |
117 | 5WN | 0.8918 |
118 | CPW | 0.8915 |
119 | 92O | 0.8915 |
120 | C2Y | 0.8914 |
121 | E35 | 0.8913 |
122 | F5C | 0.8912 |
123 | 67Y | 0.8911 |
124 | 92P | 0.8910 |
125 | 1KP | 0.8910 |
126 | LDP | 0.8909 |
127 | GTV | 0.8905 |
128 | 982 | 0.8901 |
129 | KW8 | 0.8900 |
130 | B41 | 0.8897 |
131 | G6P | 0.8889 |
132 | 52F | 0.8887 |
133 | H7Y | 0.8886 |
134 | 3IB | 0.8884 |
135 | XEN | 0.8881 |
136 | 3VX | 0.8880 |
137 | N2I | 0.8880 |
138 | 2UD | 0.8879 |
139 | EXR | 0.8878 |
140 | 790 | 0.8878 |
141 | B56 | 0.8878 |
142 | B5A | 0.8875 |
143 | ITW | 0.8873 |
144 | SJK | 0.8870 |
145 | 78U | 0.8868 |
146 | GXY | 0.8867 |
147 | ALE | 0.8867 |
148 | GO0 | 0.8859 |
149 | 5OO | 0.8858 |
150 | F95 | 0.8856 |
151 | GDL | 0.8856 |
152 | L07 | 0.8855 |
153 | 327 | 0.8854 |
154 | 3N1 | 0.8851 |
155 | A0O | 0.8848 |
156 | JF2 | 0.8848 |
157 | 22T | 0.8847 |
158 | EXL | 0.8845 |
159 | IWD | 0.8844 |
160 | EYA | 0.8844 |
161 | HBI | 0.8843 |
162 | 3XH | 0.8842 |
163 | DHY | 0.8841 |
164 | M5H | 0.8840 |
165 | LP8 | 0.8840 |
166 | FLV | 0.8836 |
167 | 4B0 | 0.8835 |
168 | HHS | 0.8834 |
169 | MAG | 0.8832 |
170 | FER | 0.8831 |
171 | MIG | 0.8830 |
172 | B61 | 0.8829 |
173 | 2GQ | 0.8829 |
174 | OW7 | 0.8827 |
175 | KWQ | 0.8826 |
176 | PLP | 0.8826 |
177 | RVE | 0.8825 |
178 | NAL | 0.8822 |
179 | 54X | 0.8821 |
180 | H4B | 0.8817 |
181 | N1E | 0.8817 |
182 | I3A | 0.8816 |
183 | ASE | 0.8814 |
184 | 5RN | 0.8814 |
185 | GO8 | 0.8813 |
186 | PQK | 0.8812 |
187 | 9UL | 0.8811 |
188 | BY5 | 0.8810 |
189 | S7G | 0.8810 |
190 | CG | 0.8808 |
191 | 64E | 0.8807 |
192 | CFA | 0.8804 |
193 | GO2 | 0.8803 |
194 | ODO | 0.8798 |
195 | BG6 | 0.8798 |
196 | XM5 | 0.8797 |
197 | 3SU | 0.8796 |
198 | GO1 | 0.8793 |
199 | BIO | 0.8793 |
200 | GOE | 0.8793 |
201 | P9T | 0.8791 |
202 | D8Q | 0.8785 |
203 | JXQ | 0.8784 |
204 | 89J | 0.8782 |
205 | E1P | 0.8782 |
206 | 7ZC | 0.8780 |
207 | 7AP | 0.8776 |
208 | NQH | 0.8775 |
209 | TCR | 0.8775 |
210 | C9E | 0.8768 |
211 | 4BX | 0.8766 |
212 | CUH | 0.8765 |
213 | 9H2 | 0.8763 |
214 | 1Q4 | 0.8762 |
215 | 30G | 0.8758 |
216 | TXW | 0.8754 |
217 | 42J | 0.8749 |
218 | MMS | 0.8747 |
219 | N8Y | 0.8739 |
220 | EYY | 0.8737 |
221 | AVR | 0.8737 |
222 | 3RI | 0.8736 |
223 | CSN | 0.8735 |
224 | HWH | 0.8734 |
225 | 28N | 0.8734 |
226 | 7PJ | 0.8733 |
227 | 4KL | 0.8732 |
228 | PMM | 0.8730 |
229 | IPD | 0.8730 |
230 | M78 | 0.8728 |
231 | 8HG | 0.8728 |
232 | ZSP | 0.8725 |
233 | GT0 | 0.8724 |
234 | TWB | 0.8723 |
235 | I4D | 0.8722 |
236 | PLR | 0.8719 |
237 | 6N4 | 0.8719 |
238 | LT2 | 0.8717 |
239 | RD4 | 0.8714 |
240 | F06 | 0.8712 |
241 | QH3 | 0.8712 |
242 | JAK | 0.8711 |
243 | BZ3 | 0.8709 |
244 | NBG | 0.8708 |
245 | CG8 | 0.8708 |
246 | NPA | 0.8705 |
247 | MQG | 0.8704 |
248 | 3N4 | 0.8704 |
249 | KP6 | 0.8702 |
250 | Q5M | 0.8702 |
251 | 2J2 | 0.8699 |
252 | R4E | 0.8699 |
253 | 0XT | 0.8698 |
254 | 96U | 0.8693 |
255 | 4ME | 0.8692 |
256 | B62 | 0.8691 |
257 | DAH | 0.8690 |
258 | RM1 | 0.8689 |
259 | 6DP | 0.8688 |
260 | 5OB | 0.8688 |
261 | I59 | 0.8685 |
262 | 61M | 0.8685 |
263 | HWD | 0.8685 |
264 | 42A | 0.8683 |
265 | 2AK | 0.8681 |
266 | L21 | 0.8681 |
267 | GJK | 0.8680 |
268 | PXP | 0.8678 |
269 | APQ | 0.8677 |
270 | ZZ2 | 0.8677 |
271 | LNR | 0.8674 |
272 | PRZ | 0.8672 |
273 | YF3 | 0.8672 |
274 | 4R1 | 0.8671 |
275 | E7Z | 0.8669 |
276 | L1O | 0.8667 |
277 | BB4 | 0.8664 |
278 | EYM | 0.8661 |
279 | IPT | 0.8656 |
280 | 3C4 | 0.8654 |
281 | ZIP | 0.8652 |
282 | N91 | 0.8651 |
283 | SNG | 0.8650 |
284 | 9ZE | 0.8649 |
285 | L8J | 0.8643 |
286 | BM3 | 0.8643 |
287 | LZM | 0.8638 |
288 | UQ1 | 0.8637 |
289 | 5F5 | 0.8637 |
290 | M6P | 0.8635 |
291 | JU2 | 0.8634 |
292 | A7H | 0.8634 |
293 | LL1 | 0.8633 |
294 | 6HO | 0.8632 |
295 | 3R6 | 0.8632 |
296 | EAE | 0.8630 |
297 | 2FY | 0.8629 |
298 | HBO | 0.8626 |
299 | 6J9 | 0.8624 |
300 | S3C | 0.8622 |
301 | 8WT | 0.8619 |
302 | XDE | 0.8617 |
303 | T6Z | 0.8616 |
304 | XJE | 0.8614 |
305 | UFO | 0.8613 |
306 | 8U3 | 0.8610 |
307 | 8W9 | 0.8600 |
308 | O2A | 0.8593 |
309 | BNX | 0.8593 |
310 | VM1 | 0.8592 |
311 | XI7 | 0.8582 |
312 | FIX | 0.8581 |
313 | AM1 | 0.8579 |
314 | 505 | 0.8579 |
315 | EOL | 0.8576 |
316 | 0Q2 | 0.8575 |
317 | THM | 0.8574 |
318 | BGN | 0.8572 |
319 | VXX | 0.8572 |
320 | CHQ | 0.8567 |
321 | DEW | 0.8567 |
322 | 64F | 0.8567 |
323 | WUB | 0.8566 |
324 | KDV | 0.8566 |
325 | O2Y | 0.8563 |
326 | H35 | 0.8560 |
327 | DEE | 0.8557 |
328 | 0FK | 0.8556 |
329 | 3Y7 | 0.8555 |
330 | TR7 | 0.8540 |
331 | 226 | 0.8523 |
332 | HA5 | 0.8514 |
333 | QIF | 0.8513 |
334 | S24 | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 5dhu.bio1) has 55 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5dhu.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5dhu.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5dhu.bio1) has 55 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |