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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 3 families. | |||||
1 | 6EHH | ic50 = 32 nM | 2GE | C13 H12 Cl2 N4 | c1cc(c(c(c.... |
2 | 5MZG | ic50 = 138 nM | 2GE | C13 H12 Cl2 N4 | c1cc(c(c(c.... |
3 | 5MZE | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
4 | 6US4 | ic50 = 13 nM | GN6 | C12 H8 Cl2 N4 | c1cc(c(c(c.... |
5 | 4C9X | Kd = 48 nM | VHS | C21 H22 Cl2 F N5 O | C[C@@H](c1.... |
6 | 5ANW | Kd = 0.003 uM | 9CQ | C18 H18 N4 O | CN(C)C(=O).... |
7 | 6F23 | ic50 = 0.005 uM | C8Z | C17 H17 N3 | c1ccc(cc1).... |
8 | 5ANV | Kd = 0.0005 uM | RGJ | C19 H17 Cl F N3 O3 | CNC(=O)c1c.... |
9 | 4N1T | ic50 = 0.8 nM | 2GD | C11 H10 Cl2 N4 | CNc1cc(nc(.... |
10 | 6AA4 | ic50 = 0.47 uM | MKS | C24 H26 O6 | CC(=CCc1c(.... |
11 | 5WS7 | - | 6U4 | C10 H16 N5 O13 P3 | C1[C@@H]([.... |
12 | 3ZR0 | - | 8OG | C10 H14 N5 O8 P | C1[C@@H]([.... |
13 | 6ILI | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
14 | 5NGS | ic50 = 170 nM | 8WW | C13 H13 N5 S | c1ccc(cc1).... |
15 | 6US3 | ic50 = 81 nM | 8JF | C18 H17 N3 O | Cc1cccc(c1.... |
16 | 4C9W | Kd = 781 nM | VGH | C21 H22 Cl2 F N5 O | C[C@H](c1c.... |
17 | 5GHJ | - | 6U4 | C10 H16 N5 O13 P3 | C1[C@@H]([.... |
18 | 5GHI | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
19 | 5NHY | ic50 = 2.3 nM | 8XT | C15 H20 N4 O2 | CCNC(=O)c1.... |
20 | 6F20 | Kd = 49.5 uM | C9E | C10 H10 N2 O2 | CCOC(=O)c1.... |
21 | 5GHQ | - | 6U4 | C10 H16 N5 O13 P3 | C1[C@@H]([.... |
22 | 5ANU | Kd = 0.0004 uM | 58T | C17 H19 N5 O4 | CNc1c2c3nc.... |
23 | 4N1U | ic50 = 5 nM | 2GE | C13 H12 Cl2 N4 | c1cc(c(c(c.... |
24 | 6F22 | ic50 = 0.002 uM | C9B | C16 H16 N4 O | c1ccc(cc1).... |
25 | 5FSM | Kd > 40 uM | N91 | C10 H11 N3 O | CC(=O)Nc1c.... |
26 | 5NGR | ic50 = 24 uM | 8WT | C6 H7 N5 S | CSc1[nH]c2.... |
27 | 5OTM | - | 6OG | C11 H16 N5 O7 P | COc1c2c(nc.... |
28 | 6F1X | ic50 = 0.02 uM | C9Q | C16 H14 Cl N3 O | CCNC(=O)c1.... |
29 | 5ANS | ic50 = 2.056 uM | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
30 | 5FSN | Kd = 1.7 uM | 6Q3 | C8 H13 N3 O2 | Cc1cc(nc(n.... |
31 | 5GHO | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
32 | 5FSO | Kd = 0.81 uM | S76 | C5 H7 N3 O2 | CNC1=CC(=O.... |
33 | 5FSK | - | H6Y | C10 H16 N5 O14 P3 | c1nc(c2c(n.... |
34 | 6AA5 | ic50 = 0.052 uM | MKU | C24 H26 O6 | CC(=CCc1c2.... |
35 | 5GHN | - | 6U4 | C10 H16 N5 O13 P3 | C1[C@@H]([.... |
36 | 5ANT | Kd = 0.44 uM | RJE | C16 H19 N5 O3 | CNc1c2c(nc.... |
37 | 5FSI | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
38 | 6US2 | Ki = 5.2 pM | S3O | C18 H21 N3 O | Cc1cccc(c1.... |
39 | 5GHM | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
40 | 5NGT | - | 8WZ | C12 H10 N2 O2 | Cc1cc(c2c(.... |
41 | 5FSL | Kd = 24 uM | UAN | C7 H9 N5 O | CNC1=Nc2c(.... |
42 | 6QVO | - | 6MA | C11 H16 N5 O6 P | CNc1c2c(nc.... |
43 | 5HZX | ic50 = 2.8 nM | 2GE | C13 H12 Cl2 N4 | c1cc(c(c(c.... |
44 | 5OTN | - | 6OG | C11 H16 N5 O7 P | COc1c2c(nc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 6EHH | ic50 = 32 nM | 2GE | C13 H12 Cl2 N4 | c1cc(c(c(c.... |
2 | 5MZG | ic50 = 138 nM | 2GE | C13 H12 Cl2 N4 | c1cc(c(c(c.... |
3 | 5MZE | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
4 | 6US4 | ic50 = 13 nM | GN6 | C12 H8 Cl2 N4 | c1cc(c(c(c.... |
5 | 4C9X | Kd = 48 nM | VHS | C21 H22 Cl2 F N5 O | C[C@@H](c1.... |
6 | 5ANW | Kd = 0.003 uM | 9CQ | C18 H18 N4 O | CN(C)C(=O).... |
7 | 6F23 | ic50 = 0.005 uM | C8Z | C17 H17 N3 | c1ccc(cc1).... |
8 | 5ANV | Kd = 0.0005 uM | RGJ | C19 H17 Cl F N3 O3 | CNC(=O)c1c.... |
9 | 4N1T | ic50 = 0.8 nM | 2GD | C11 H10 Cl2 N4 | CNc1cc(nc(.... |
10 | 6AA4 | ic50 = 0.47 uM | MKS | C24 H26 O6 | CC(=CCc1c(.... |
11 | 5WS7 | - | 6U4 | C10 H16 N5 O13 P3 | C1[C@@H]([.... |
12 | 3ZR0 | - | 8OG | C10 H14 N5 O8 P | C1[C@@H]([.... |
13 | 6ILI | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
14 | 5NGS | ic50 = 170 nM | 8WW | C13 H13 N5 S | c1ccc(cc1).... |
15 | 6US3 | ic50 = 81 nM | 8JF | C18 H17 N3 O | Cc1cccc(c1.... |
16 | 4C9W | Kd = 781 nM | VGH | C21 H22 Cl2 F N5 O | C[C@H](c1c.... |
17 | 5GHJ | - | 6U4 | C10 H16 N5 O13 P3 | C1[C@@H]([.... |
18 | 5GHI | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
19 | 5NHY | ic50 = 2.3 nM | 8XT | C15 H20 N4 O2 | CCNC(=O)c1.... |
20 | 6F20 | Kd = 49.5 uM | C9E | C10 H10 N2 O2 | CCOC(=O)c1.... |
21 | 5GHQ | - | 6U4 | C10 H16 N5 O13 P3 | C1[C@@H]([.... |
22 | 5ANU | Kd = 0.0004 uM | 58T | C17 H19 N5 O4 | CNc1c2c3nc.... |
23 | 4N1U | ic50 = 5 nM | 2GE | C13 H12 Cl2 N4 | c1cc(c(c(c.... |
24 | 6F22 | ic50 = 0.002 uM | C9B | C16 H16 N4 O | c1ccc(cc1).... |
25 | 5FSM | Kd > 40 uM | N91 | C10 H11 N3 O | CC(=O)Nc1c.... |
26 | 5NGR | ic50 = 24 uM | 8WT | C6 H7 N5 S | CSc1[nH]c2.... |
27 | 5OTM | - | 6OG | C11 H16 N5 O7 P | COc1c2c(nc.... |
28 | 6F1X | ic50 = 0.02 uM | C9Q | C16 H14 Cl N3 O | CCNC(=O)c1.... |
29 | 5ANS | ic50 = 2.056 uM | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
30 | 5FSN | Kd = 1.7 uM | 6Q3 | C8 H13 N3 O2 | Cc1cc(nc(n.... |
31 | 5GHO | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
32 | 5FSO | Kd = 0.81 uM | S76 | C5 H7 N3 O2 | CNC1=CC(=O.... |
33 | 5FSK | - | H6Y | C10 H16 N5 O14 P3 | c1nc(c2c(n.... |
34 | 6AA5 | ic50 = 0.052 uM | MKU | C24 H26 O6 | CC(=CCc1c2.... |
35 | 5GHN | - | 6U4 | C10 H16 N5 O13 P3 | C1[C@@H]([.... |
36 | 5ANT | Kd = 0.44 uM | RJE | C16 H19 N5 O3 | CNc1c2c(nc.... |
37 | 5FSI | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
38 | 6US2 | Ki = 5.2 pM | S3O | C18 H21 N3 O | Cc1cccc(c1.... |
39 | 5GHM | - | 8DG | C10 H16 N5 O14 P3 | C1[C@@H]([.... |
40 | 5NGT | - | 8WZ | C12 H10 N2 O2 | Cc1cc(c2c(.... |
41 | 5FSL | Kd = 24 uM | UAN | C7 H9 N5 O | CNC1=Nc2c(.... |
42 | 6QVO | - | 6MA | C11 H16 N5 O6 P | CNc1c2c(nc.... |
43 | 5HZX | ic50 = 2.8 nM | 2GE | C13 H12 Cl2 N4 | c1cc(c(c(c.... |
44 | 5OTN | - | 6OG | C11 H16 N5 O7 P | COc1c2c(nc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | B2T | 0.9244 |
2 | 36Z | 0.9206 |
3 | 6KN | 0.9108 |
4 | 40N | 0.9108 |
5 | CU8 | 0.9077 |
6 | 3C5 | 0.9076 |
7 | E42 | 0.9069 |
8 | UMP | 0.9052 |
9 | 6QT | 0.9049 |
10 | SNJ | 0.9033 |
11 | Q4G | 0.9028 |
12 | 4ZK | 0.9016 |
13 | YE6 | 0.9009 |
14 | K6B | 0.9008 |
15 | 6JO | 0.9002 |
16 | K6N | 0.8999 |
17 | DIF | 0.8997 |
18 | LNN | 0.8997 |
19 | I0D | 0.8994 |
20 | Q8D | 0.8976 |
21 | IQQ | 0.8970 |
22 | EZN | 0.8966 |
23 | TI7 | 0.8965 |
24 | 1V4 | 0.8964 |
25 | XEV | 0.8957 |
26 | UN3 | 0.8949 |
27 | AV7 | 0.8948 |
28 | 8HH | 0.8946 |
29 | S2X | 0.8940 |
30 | L5D | 0.8933 |
31 | 1V3 | 0.8931 |
32 | 43J | 0.8929 |
33 | Q8G | 0.8927 |
34 | C5P | 0.8926 |
35 | 6DE | 0.8923 |
36 | 6JM | 0.8923 |
37 | ZAS | 0.8921 |
38 | FX5 | 0.8921 |
39 | K8W | 0.8920 |
40 | EP4 | 0.8919 |
41 | 6HW | 0.8918 |
42 | 7G2 | 0.8913 |
43 | AED | 0.8910 |
44 | DDC | 0.8910 |
45 | HHB | 0.8906 |
46 | DCM | 0.8904 |
47 | C9Q | 0.8901 |
48 | 9CE | 0.8896 |
49 | WVV | 0.8896 |
50 | 272 | 0.8894 |
51 | T7O | 0.8878 |
52 | 0UL | 0.8876 |
53 | IMP | 0.8875 |
54 | QKU | 0.8875 |
55 | 581 | 0.8873 |
56 | D5M | 0.8872 |
57 | AMP | 0.8871 |
58 | P4L | 0.8870 |
59 | AUV | 0.8869 |
60 | U | 0.8868 |
61 | 3DE | 0.8868 |
62 | F40 | 0.8859 |
63 | TMP | 0.8854 |
64 | AZZ | 0.8852 |
65 | ZAR | 0.8847 |
66 | FSE | 0.8847 |
67 | HKK | 0.8847 |
68 | NIF | 0.8846 |
69 | HH6 | 0.8845 |
70 | TDH | 0.8843 |
71 | UFP | 0.8842 |
72 | 7L4 | 0.8842 |
73 | U5P | 0.8842 |
74 | MTA | 0.8840 |
75 | QBT | 0.8840 |
76 | AS | 0.8840 |
77 | EFX | 0.8835 |
78 | D25 | 0.8832 |
79 | 205 | 0.8831 |
80 | 7VF | 0.8830 |
81 | DFV | 0.8829 |
82 | LOX XYP | 0.8820 |
83 | 39R | 0.8817 |
84 | FL8 | 0.8811 |
85 | AVA | 0.8809 |
86 | M0Y | 0.8807 |
87 | 2XY | 0.8804 |
88 | 15Q | 0.8804 |
89 | MT6 | 0.8804 |
90 | KOM | 0.8804 |
91 | NKI | 0.8802 |
92 | BXZ | 0.8794 |
93 | 5C1 | 0.8791 |
94 | KCH | 0.8788 |
95 | K4T | 0.8785 |
96 | 7G1 | 0.8781 |
97 | NWQ | 0.8780 |
98 | 77X | 0.8775 |
99 | VBC | 0.8773 |
100 | 5F8 | 0.8771 |
101 | J84 | 0.8770 |
102 | JSX | 0.8770 |
103 | 1ER | 0.8769 |
104 | LWS | 0.8768 |
105 | 9XZ | 0.8766 |
106 | 5P3 | 0.8765 |
107 | 5IU | 0.8762 |
108 | S1D | 0.8761 |
109 | P9I | 0.8760 |
110 | XYP XIM | 0.8759 |
111 | 90M | 0.8755 |
112 | LMS | 0.8754 |
113 | 28A | 0.8753 |
114 | 5KN | 0.8752 |
115 | 6PB | 0.8751 |
116 | 20D | 0.8749 |
117 | 9K2 | 0.8748 |
118 | FCW | 0.8747 |
119 | 6DQ | 0.8746 |
120 | 7M2 | 0.8746 |
121 | 25O | 0.8744 |
122 | 25F | 0.8739 |
123 | GG5 | 0.8737 |
124 | EAJ | 0.8734 |
125 | 6XC | 0.8734 |
126 | KWV | 0.8734 |
127 | AV4 | 0.8733 |
128 | UP6 | 0.8732 |
129 | A73 | 0.8724 |
130 | AOC | 0.8721 |
131 | 45A | 0.8720 |
132 | U3P | 0.8716 |
133 | FHI | 0.8713 |
134 | 43G | 0.8708 |
135 | 1SF | 0.8708 |
136 | A3N | 0.8707 |
137 | 4E5 | 0.8706 |
138 | JVB | 0.8706 |
139 | 5FL | 0.8704 |
140 | TKW | 0.8704 |
141 | SNB | 0.8704 |
142 | O9Q | 0.8702 |
143 | 60L | 0.8701 |
144 | 1ZC | 0.8700 |
145 | 0MB | 0.8699 |
146 | 4RV | 0.8697 |
147 | 6J3 | 0.8696 |
148 | 1XS | 0.8696 |
149 | XZ8 | 0.8696 |
150 | 3GX | 0.8694 |
151 | M8Q | 0.8694 |
152 | NFG | 0.8694 |
153 | 3AD | 0.8694 |
154 | VM7 | 0.8692 |
155 | 1V1 | 0.8691 |
156 | VJJ | 0.8690 |
157 | PSU | 0.8689 |
158 | WLH | 0.8689 |
159 | U6M | 0.8689 |
160 | ADN | 0.8688 |
161 | 43S | 0.8684 |
162 | 1V8 | 0.8684 |
163 | ZO0 | 0.8683 |
164 | FNU | 0.8682 |
165 | 67B | 0.8681 |
166 | BMQ | 0.8679 |
167 | 5DE | 0.8678 |
168 | 51Y | 0.8675 |
169 | KW7 | 0.8675 |
170 | PZB | 0.8673 |
171 | A4G | 0.8672 |
172 | 7M5 | 0.8672 |
173 | TCC | 0.8671 |
174 | C | 0.8669 |
175 | BMP | 0.8669 |
176 | 1FL | 0.8668 |
177 | T3S | 0.8663 |
178 | CMZ | 0.8662 |
179 | DXK | 0.8662 |
180 | 103 | 0.8662 |
181 | 5FD | 0.8662 |
182 | 683 | 0.8650 |
183 | LU2 | 0.8648 |
184 | NE1 | 0.8647 |
185 | X29 | 0.8646 |
186 | LUR | 0.8646 |
187 | 7DE | 0.8645 |
188 | 69W | 0.8644 |
189 | VAO | 0.8644 |
190 | MLO | 0.8643 |
191 | 2AM | 0.8642 |
192 | AVX | 0.8639 |
193 | LI7 | 0.8638 |
194 | 1Q2 | 0.8638 |
195 | 5UH | 0.8637 |
196 | 57D | 0.8633 |
197 | XYP XYP | 0.8633 |
198 | AJ4 | 0.8633 |
199 | CAR | 0.8632 |
200 | 6HV | 0.8626 |
201 | 3QI | 0.8621 |
202 | MIL | 0.8621 |
203 | X6P | 0.8616 |
204 | 6HZ | 0.8614 |
205 | 28B | 0.8612 |
206 | NUP | 0.8610 |
207 | Z16 | 0.8609 |
208 | 3WL | 0.8603 |
209 | PBQ | 0.8602 |
210 | ABJ | 0.8602 |
211 | S0J | 0.8598 |
212 | ZY5 | 0.8597 |
213 | BXS | 0.8595 |
214 | U4J | 0.8578 |
215 | XMP | 0.8573 |
216 | 1TM | 0.8571 |
217 | TLF | 0.8570 |
218 | FT3 | 0.8569 |
219 | WOE | 0.8568 |
220 | T21 | 0.8557 |
221 | QUE | 0.8553 |
222 | 7NU | 0.8544 |
223 | RF2 | 0.8543 |
224 | 79W | 0.8543 |
225 | 22M | 0.8540 |
226 | MQS | 0.8535 |
227 | 5GP | 0.8529 |
228 | 2QU | 0.8527 |
229 | AIR | 0.8527 |
230 | PY1 | 0.8522 |
231 | ID8 | 0.8521 |
232 | 5V5 | 0.8519 |
233 | II4 | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 6us2.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |