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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 9 families. | |||||
1 | 2ON6 | Ki = 172 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 2A0Y | Ki = 900 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
3 | 1RR6 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 2A0X | Ki = 950 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
5 | 3GB9 | - | A2F | C5 H4 F N5 | c1[nH]c2c(.... |
6 | 1RT9 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
7 | 5UGF | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
8 | 3BGS | Ki = 380 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
9 | 1RSZ | - | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
10 | 2A0W | Ki = 270 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
11 | 1B8O | Ki = 23 pM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
12 | 1A9T | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
13 | 1VFN | Ki = 2.5 uM | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
14 | 2QPL | ic50 = 18.9 uM | BTY | C6 H7 N5 O | Cc1cc2n(n1.... |
15 | 2AI1 | ic50 = 300 nM | P1G | C12 H16 N5 O8 P | c1nc2c(n1[.... |
16 | 1B8N | Ki = 30 pM | IMG | C11 H15 N5 O4 | c1c(c2c([n.... |
17 | 1A9S | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
18 | 2AI3 | ic50 = 5000 nM | P2G | C11 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1LVU | Kd = 4.8 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
20 | 1A9P | - | 9DI | C11 H13 N3 O5 | c1c(c2c([n.... |
21 | 2AI2 | ic50 = 30 nM | P1D | C13 H16 N3 O8 P | c1c(c2c([n.... |
22 | 1V48 | Ki = 16 nM | HA1 | C10 H14 F2 N5 O4 P | c1nc2c(n1C.... |
23 | 1A9Q | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 3FUC | Kd = 190 pM | 9D9 | C11 H15 F2 N4 O4 P | c1c(c2c([n.... |
25 | 1A9R | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 1LV8 | Kd = 3.5 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
27 | 1FXU | - | GU7 | C10 H16 N6 O3 | c1nc2c(n1C.... |
28 | 4EAR | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
29 | 5ETJ | Kd = 66 pM | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
30 | 4EB8 | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2ON6 | Ki = 172 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 2A0Y | Ki = 900 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
3 | 1RR6 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 2A0X | Ki = 950 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
5 | 3GB9 | - | A2F | C5 H4 F N5 | c1[nH]c2c(.... |
6 | 1RT9 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
7 | 5UGF | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
8 | 3BGS | Ki = 380 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
9 | 1RSZ | - | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
10 | 2A0W | Ki = 270 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
11 | 1B8O | Ki = 23 pM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
12 | 1A9T | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
13 | 1VFN | Ki = 2.5 uM | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
14 | 2QPL | ic50 = 18.9 uM | BTY | C6 H7 N5 O | Cc1cc2n(n1.... |
15 | 2AI1 | ic50 = 300 nM | P1G | C12 H16 N5 O8 P | c1nc2c(n1[.... |
16 | 1B8N | Ki = 30 pM | IMG | C11 H15 N5 O4 | c1c(c2c([n.... |
17 | 1A9S | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
18 | 2AI3 | ic50 = 5000 nM | P2G | C11 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1LVU | Kd = 4.8 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
20 | 1A9P | - | 9DI | C11 H13 N3 O5 | c1c(c2c([n.... |
21 | 2AI2 | ic50 = 30 nM | P1D | C13 H16 N3 O8 P | c1c(c2c([n.... |
22 | 1V48 | Ki = 16 nM | HA1 | C10 H14 F2 N5 O4 P | c1nc2c(n1C.... |
23 | 1A9Q | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 3FUC | Kd = 190 pM | 9D9 | C11 H15 F2 N4 O4 P | c1c(c2c([n.... |
25 | 1A9R | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 1LV8 | Kd = 3.5 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
27 | 1FXU | - | GU7 | C10 H16 N6 O3 | c1nc2c(n1C.... |
28 | 5IFK | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
29 | 5TBT | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
30 | 5TBU | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
31 | 5TBS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
32 | 4EAR | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
33 | 5ETJ | Kd = 66 pM | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
34 | 4EB8 | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
35 | 2P4S | Ki = 0.31 nM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
36 | 3FB1 | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
37 | 3E9R | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 3E0Q | - | JFD | C4 H4 Br N3 O2 | C1(=C(NC(=.... |
39 | 3FNQ | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
40 | 3FAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
41 | 3IEX | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
42 | 3DJF | ic50 = 0.8 uM | BC3 | C12 H11 N5 O | c1cc(cnc1).... |
43 | 3F8W | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
44 | 1VMK | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IM5 | 0.9817 |
2 | C1Y | 0.9469 |
3 | B5A | 0.9379 |
4 | MDR | 0.9341 |
5 | C4F | 0.9302 |
6 | EMU | 0.9264 |
7 | IMH | 0.9244 |
8 | NOS | 0.9223 |
9 | AX8 | 0.9191 |
10 | TDI | 0.9190 |
11 | TBN | 0.9184 |
12 | BC3 | 0.9166 |
13 | LI4 | 0.9164 |
14 | MQS | 0.9145 |
15 | 5P7 | 0.9137 |
16 | 9DI | 0.9133 |
17 | ADN | 0.9125 |
18 | GA2 | 0.9112 |
19 | ZEA | 0.9108 |
20 | 7XX | 0.9105 |
21 | 1Q4 | 0.9102 |
22 | C4E | 0.9101 |
23 | 4WF | 0.9099 |
24 | PE2 | 0.9095 |
25 | EX7 | 0.9094 |
26 | GU7 | 0.9091 |
27 | EXG | 0.9083 |
28 | 12R | 0.9080 |
29 | L12 | 0.9067 |
30 | 5F1 | 0.9059 |
31 | QEI | 0.9055 |
32 | FMB | 0.9043 |
33 | NXB | 0.9038 |
34 | 5BX | 0.9029 |
35 | MTA | 0.9025 |
36 | FMC | 0.9021 |
37 | CWP | 0.9002 |
38 | MTH | 0.9001 |
39 | EXP | 0.8983 |
40 | JXQ | 0.8976 |
41 | XYA | 0.8972 |
42 | 3D1 | 0.8970 |
43 | 5R9 | 0.8970 |
44 | 94M | 0.8968 |
45 | BZM | 0.8966 |
46 | NQ7 | 0.8966 |
47 | LJ1 | 0.8965 |
48 | BIE | 0.8962 |
49 | KUP | 0.8954 |
50 | 2L2 | 0.8952 |
51 | QUG | 0.8944 |
52 | IW4 | 0.8942 |
53 | 6IP | 0.8941 |
54 | AX5 | 0.8936 |
55 | WA2 | 0.8929 |
56 | MTM | 0.8919 |
57 | JYN | 0.8917 |
58 | 3G3 | 0.8903 |
59 | 4F0 | 0.8903 |
60 | HA6 | 0.8899 |
61 | HPZ | 0.8897 |
62 | OS2 | 0.8896 |
63 | QTS | 0.8894 |
64 | DX6 | 0.8892 |
65 | KWK | 0.8888 |
66 | QS4 | 0.8884 |
67 | RAB | 0.8881 |
68 | DE7 | 0.8879 |
69 | 96Z | 0.8879 |
70 | PMM | 0.8878 |
71 | MBY | 0.8878 |
72 | A4V | 0.8878 |
73 | HPK | 0.8872 |
74 | DBM | 0.8871 |
75 | 5ER | 0.8871 |
76 | 50Q | 0.8868 |
77 | 1OX | 0.8868 |
78 | 5AD | 0.8858 |
79 | STV | 0.8856 |
80 | X2M | 0.8851 |
81 | TYP | 0.8851 |
82 | Q9P | 0.8849 |
83 | NEU | 0.8842 |
84 | P2L | 0.8839 |
85 | NAL | 0.8829 |
86 | TRP | 0.8825 |
87 | LI7 | 0.8817 |
88 | 8KW | 0.8814 |
89 | IEE | 0.8812 |
90 | QDR | 0.8807 |
91 | AGV | 0.8805 |
92 | RNK | 0.8804 |
93 | 5WN | 0.8804 |
94 | JCQ | 0.8802 |
95 | FM1 | 0.8802 |
96 | 35K | 0.8802 |
97 | 3IL | 0.8799 |
98 | 7WD | 0.8798 |
99 | 5EZ | 0.8796 |
100 | 22T | 0.8794 |
101 | 8OX | 0.8793 |
102 | 2L1 | 0.8791 |
103 | FM2 | 0.8790 |
104 | CUQ | 0.8786 |
105 | F91 | 0.8786 |
106 | IMG | 0.8784 |
107 | GMP | 0.8784 |
108 | 5HG | 0.8784 |
109 | WG8 | 0.8780 |
110 | GNG | 0.8779 |
111 | RE4 | 0.8775 |
112 | 0QV | 0.8772 |
113 | JF5 | 0.8768 |
114 | ON1 | 0.8767 |
115 | 2FD | 0.8765 |
116 | ZEZ | 0.8765 |
117 | 00G | 0.8761 |
118 | ASE | 0.8752 |
119 | SNI | 0.8751 |
120 | IAV | 0.8750 |
121 | HH2 | 0.8749 |
122 | KHP | 0.8748 |
123 | CX5 | 0.8746 |
124 | 4YE | 0.8745 |
125 | GXG | 0.8745 |
126 | SCE | 0.8739 |
127 | 5FD | 0.8735 |
128 | H35 | 0.8730 |
129 | 3L1 | 0.8730 |
130 | AX4 | 0.8726 |
131 | HLP | 0.8726 |
132 | 6U5 | 0.8721 |
133 | VJJ | 0.8720 |
134 | V15 | 0.8719 |
135 | NW1 | 0.8719 |
136 | 3AK | 0.8718 |
137 | FNA | 0.8717 |
138 | KTM | 0.8716 |
139 | 2N0 | 0.8716 |
140 | MHD GAL | 0.8716 |
141 | RCM | 0.8715 |
142 | 6MD | 0.8713 |
143 | MQR | 0.8710 |
144 | 8DA | 0.8706 |
145 | CL9 | 0.8704 |
146 | 0OP | 0.8703 |
147 | PZX | 0.8700 |
148 | EYY | 0.8699 |
149 | MTI | 0.8696 |
150 | TAL | 0.8693 |
151 | JA3 | 0.8693 |
152 | CUH | 0.8692 |
153 | NIY | 0.8690 |
154 | 69K | 0.8690 |
155 | 78U | 0.8686 |
156 | GHQ | 0.8679 |
157 | IGP | 0.8678 |
158 | NOC | 0.8670 |
159 | E9S | 0.8670 |
160 | 11X | 0.8667 |
161 | TR7 | 0.8665 |
162 | THM | 0.8660 |
163 | DTR | 0.8659 |
164 | C5Q | 0.8656 |
165 | DGO Z61 | 0.8653 |
166 | ARJ | 0.8649 |
167 | 0OM | 0.8648 |
168 | AEY | 0.8647 |
169 | TQ3 | 0.8638 |
170 | 2FA | 0.8638 |
171 | 6C9 | 0.8635 |
172 | FT6 | 0.8634 |
173 | FPL | 0.8631 |
174 | ITW | 0.8629 |
175 | 4YF | 0.8628 |
176 | A | 0.8627 |
177 | 6C5 | 0.8627 |
178 | AC2 | 0.8626 |
179 | UX0 | 0.8624 |
180 | FTU | 0.8620 |
181 | 6QT | 0.8618 |
182 | 0DN | 0.8615 |
183 | AZY | 0.8612 |
184 | 531 | 0.8610 |
185 | MTP | 0.8607 |
186 | 147 | 0.8605 |
187 | CMG | 0.8605 |
188 | 5N5 | 0.8590 |
189 | 6XC | 0.8586 |
190 | 1YO | 0.8580 |
191 | CUT | 0.8569 |
192 | 8MF | 0.8564 |
193 | C0Y | 0.8563 |
194 | A4D | 0.8557 |
195 | NWL | 0.8555 |
196 | 5RU | 0.8555 |
197 | 8Y7 | 0.8553 |
198 | B4L | 0.8551 |
199 | QUB | 0.8550 |
200 | M1D | 0.8547 |
201 | 5ID | 0.8525 |
202 | 5CD | 0.8520 |
203 | S7D | 0.8505 |
This union binding pocket(no: 1) in the query (biounit: 2a0w.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2a0w.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2a0w.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |