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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 12 families. | |||||
1 | 1Q7B | Kd = 3.5 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
2 | 1Q7C | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
3 | 4BNT | ic50 = 137.69 uM | 36E | C8 H5 F3 N2 | c1ccc2c(c1.... |
4 | 4BNY | ic50 = 0.08 uM | 36I | C16 H15 N3 O S | c1ccc(cc1).... |
5 | 4BNV | ic50 = 0.03 uM | Q7U | C15 H13 Cl N4 O | Cn1c2ccccc.... |
6 | 4BO1 | ic50 = 0.05 uM | NKH | C18 H15 Cl N2 O3 | COc1cc(c(c.... |
7 | 4BO0 | ic50 = 0.2 uM | FXE | C17 H18 N4 O3 | Cn1c2cccc(.... |
8 | 4AG3 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
9 | 4BO2 | ic50 = 0.05 uM | 36K | C17 H18 N4 O2 | CCn1c2cccc.... |
10 | 4BNX | ic50 = 0.02 uM | O74 | C20 H14 Cl N3 O | c1ccc2c(c1.... |
11 | 4BNU | ic50 = 0.02 uM | 9KQ | C16 H11 N5 | c1ccc(cc1).... |
12 | 4BO3 | ic50 = 0.3 uM | U98 | C12 H10 F3 N3 O2 S | c1cc(cc(c1.... |
13 | 4BNZ | ic50 = 0.26 uM | 8M5 | C16 H14 N2 O | Cn1cc(c2c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1VL8 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
2 | 1X7G | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
3 | 2RH4 | Ki = 15 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
4 | 4N5M | - | CAA | C25 H40 N7 O18 P3 S | CC(=O)CC(=.... |
5 | 4BNV | ic50 = 0.03 uM | Q7U | C15 H13 Cl N4 O | Cn1c2ccccc.... |
6 | 4BO1 | ic50 = 0.05 uM | NKH | C18 H15 Cl N2 O3 | COc1cc(c(c.... |
7 | 1H5Q | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
8 | 1NFF | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
9 | 1XKQ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
10 | 5YSS | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
11 | 3SJ7 | Kd = 53.93 uM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
12 | 1ZEM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
13 | 5O43 | Ki = 42 nM | 9JQ | C18 H14 F2 N2 O2 | CN(c1ccc(c.... |
14 | 6FFB | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
15 | 5EN4 | Ki = 64 nM | 5Q6 | C18 H12 F N O4 | c1cc(c(c(c.... |
16 | 5O6X | Ki = 6 nM | 9MK | C17 H12 F N O2 | Cc1ccc2c(c.... |
17 | 6HNO | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
18 | 5L7T | Ki = 26 nM | 6QJ | C19 H14 F N O3 | Cc1cc(ccc1.... |
19 | 1ZK0 | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
20 | 1ZJZ | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
21 | 1ZJY | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
22 | 2WDZ | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
23 | 1G0O | Ki = 14 nM | PYQ | C11 H11 N O | c1cc2c3c(c.... |
24 | 1CYD | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
25 | 1RWB | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
26 | 5Z2L | Kd = 45 uM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
27 | 4KWH | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
28 | 2CFC | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
29 | 6XEX | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
30 | 3ICC | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
31 | 5B4T | - | 3HR | C4 H8 O3 | C[C@H](CC(.... |
32 | 1AHI | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
33 | 2DTX | - | BMA | C6 H12 O6 | C([C@@H]1[.... |
34 | 2AG5 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
35 | 1JA9 | Ki = 420 nM | PYQ | C11 H11 N O | c1cc2c3c(c.... |
36 | 1UZN | Kd = 11.2 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
37 | 3QWF | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
38 | 1XHL | - | TNE | C8 H13 N O | CN1[C@H]2C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | Q7U | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 36K | 0.9754 |
2 | F5N | 0.9413 |
3 | 1V8 | 0.9205 |
4 | 97K | 0.9187 |
5 | T5J | 0.9185 |
6 | TVC | 0.9144 |
7 | E3U | 0.9084 |
8 | ZUF | 0.9083 |
9 | 797 | 0.9080 |
10 | FX5 | 0.9076 |
11 | CZ0 | 0.9076 |
12 | 6JM | 0.9075 |
13 | 272 | 0.9070 |
14 | EEY | 0.9059 |
15 | FNT | 0.9054 |
16 | BHF | 0.9036 |
17 | 517 | 0.9031 |
18 | 34L | 0.9028 |
19 | HWB | 0.9026 |
20 | P5W | 0.9007 |
21 | QUE | 0.9007 |
22 | BUX | 0.8991 |
23 | IDZ | 0.8989 |
24 | 18E | 0.8984 |
25 | KMP | 0.8982 |
26 | BIT | 0.8981 |
27 | 40N | 0.8976 |
28 | SU9 | 0.8964 |
29 | UN9 | 0.8959 |
30 | LIG | 0.8957 |
31 | 1EL | 0.8953 |
32 | 8M5 | 0.8951 |
33 | FSE | 0.8951 |
34 | FXE | 0.8951 |
35 | 3XL | 0.8950 |
36 | UUL | 0.8948 |
37 | BL6 | 0.8948 |
38 | 5KN | 0.8947 |
39 | 4ZW | 0.8941 |
40 | ESM | 0.8935 |
41 | F08 | 0.8933 |
42 | Q92 | 0.8929 |
43 | BL7 | 0.8925 |
44 | 55H | 0.8924 |
45 | MYU | 0.8901 |
46 | 3WL | 0.8900 |
47 | 69W | 0.8897 |
48 | CC6 | 0.8894 |
49 | MRI | 0.8893 |
50 | 1AJ | 0.8890 |
51 | 362 | 0.8888 |
52 | 8V7 | 0.8880 |
53 | MYC | 0.8880 |
54 | 39R | 0.8877 |
55 | 1UR | 0.8876 |
56 | X8E | 0.8875 |
57 | YEX | 0.8875 |
58 | 7FZ | 0.8874 |
59 | 1V0 | 0.8872 |
60 | LU2 | 0.8857 |
61 | 4HG | 0.8857 |
62 | IXM | 0.8855 |
63 | HH6 | 0.8855 |
64 | 6JO | 0.8849 |
65 | AGI | 0.8849 |
66 | BER | 0.8847 |
67 | 0MB | 0.8846 |
68 | 39Z | 0.8845 |
69 | 2QU | 0.8843 |
70 | 4UB | 0.8840 |
71 | 1FJ | 0.8840 |
72 | SNJ | 0.8835 |
73 | 6JP | 0.8830 |
74 | 1UT | 0.8829 |
75 | 06R | 0.8828 |
76 | 29F | 0.8828 |
77 | 7LU | 0.8827 |
78 | AO | 0.8826 |
79 | QUG | 0.8825 |
80 | 9X0 | 0.8824 |
81 | 27M | 0.8824 |
82 | 609 | 0.8823 |
83 | DFL | 0.8823 |
84 | 338 | 0.8822 |
85 | NU3 | 0.8820 |
86 | YH4 | 0.8820 |
87 | 4RG | 0.8819 |
88 | 9XZ | 0.8818 |
89 | PIQ | 0.8814 |
90 | AZN | 0.8814 |
91 | ECS | 0.8808 |
92 | NAR | 0.8800 |
93 | 43G | 0.8800 |
94 | LI7 | 0.8797 |
95 | 1UZ | 0.8796 |
96 | A63 | 0.8794 |
97 | 3TI | 0.8793 |
98 | 27F | 0.8792 |
99 | 20D | 0.8789 |
100 | 1V4 | 0.8784 |
101 | 6BK | 0.8780 |
102 | DX2 | 0.8772 |
103 | 19E | 0.8771 |
104 | 4P9 | 0.8769 |
105 | DQH | 0.8769 |
106 | 7G2 | 0.8765 |
107 | 38E | 0.8762 |
108 | U14 | 0.8762 |
109 | 4AU | 0.8761 |
110 | BRY | 0.8760 |
111 | BL4 | 0.8759 |
112 | A05 | 0.8758 |
113 | BGC BGC | 0.8757 |
114 | WG8 | 0.8755 |
115 | A64 | 0.8752 |
116 | 6FX | 0.8751 |
117 | 4V9 | 0.8751 |
118 | O9T | 0.8748 |
119 | 1V1 | 0.8746 |
120 | 08C | 0.8741 |
121 | CUE | 0.8740 |
122 | OUA | 0.8738 |
123 | 6B5 | 0.8733 |
124 | JRO | 0.8732 |
125 | 57D | 0.8732 |
126 | E9L | 0.8732 |
127 | GWD | 0.8726 |
128 | FDM | 0.8725 |
129 | RGK | 0.8723 |
130 | MXM | 0.8722 |
131 | XAV | 0.8720 |
132 | P34 | 0.8718 |
133 | 738 | 0.8715 |
134 | 4B8 | 0.8714 |
135 | X2L | 0.8708 |
136 | NB7 | 0.8707 |
137 | AV7 | 0.8706 |
138 | RF2 | 0.8698 |
139 | 0U7 | 0.8698 |
140 | A73 | 0.8695 |
141 | KU1 | 0.8694 |
142 | 5WW | 0.8691 |
143 | F36 | 0.8689 |
144 | EMU | 0.8677 |
145 | OUG | 0.8674 |
146 | K8W | 0.8673 |
147 | DN8 | 0.8672 |
148 | SQM | 0.8672 |
149 | NKH | 0.8672 |
150 | XEZ | 0.8669 |
151 | INR | 0.8669 |
152 | 6QT | 0.8669 |
153 | M3W | 0.8665 |
154 | 79X | 0.8664 |
155 | 25F | 0.8663 |
156 | U12 | 0.8663 |
157 | DX7 | 0.8662 |
158 | SDN | 0.8660 |
159 | 3F4 | 0.8659 |
160 | VT3 | 0.8654 |
161 | T21 | 0.8654 |
162 | A9E | 0.8648 |
163 | UL1 | 0.8648 |
164 | 245 | 0.8647 |
165 | MBT | 0.8644 |
166 | FYE | 0.8643 |
167 | 57U | 0.8633 |
168 | SZ5 | 0.8632 |
169 | CDJ | 0.8630 |
170 | CK8 | 0.8624 |
171 | CWE | 0.8623 |
172 | 801 | 0.8622 |
173 | YH1 | 0.8621 |
174 | 1FL | 0.8620 |
175 | KWV | 0.8620 |
176 | 1AV | 0.8620 |
177 | HCC | 0.8618 |
178 | UMP | 0.8616 |
179 | X2M | 0.8612 |
180 | NBJ | 0.8611 |
181 | 1V3 | 0.8609 |
182 | SLX | 0.8608 |
183 | 1XS | 0.8605 |
184 | 4KN | 0.8604 |
185 | 5Z5 | 0.8602 |
186 | 7FC | 0.8598 |
187 | WLH | 0.8594 |
188 | IY5 | 0.8594 |
189 | TMP | 0.8591 |
190 | NOM | 0.8586 |
191 | 2ZI | 0.8583 |
192 | 103 | 0.8579 |
193 | XYP XYP | 0.8578 |
194 | PZX | 0.8575 |
195 | TQ1 | 0.8574 |
196 | DEH | 0.8568 |
197 | NIF | 0.8567 |
198 | NKI | 0.8565 |
199 | 3GX | 0.8563 |
200 | Q0K | 0.8560 |
201 | EQU | 0.8555 |
202 | EST | 0.8554 |
203 | 1HP | 0.8553 |
204 | 47V | 0.8550 |
205 | ZEA | 0.8550 |
206 | N18 | 0.8548 |
207 | GLC GLC | 0.8547 |
208 | MR4 | 0.8544 |
209 | AQN | 0.8538 |
210 | 01I | 0.8520 |
211 | 9CE | 0.8520 |
212 | 658 | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 4bnu.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Z84 | CHD | 19.1781 |
This union binding pocket(no: 2) in the query (biounit: 4bnu.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Z84 | CHD | 19.1781 |