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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 | 1ENU | Ki = 8.3 uM | APZ | C8 H7 N3 O2 | c1cc2c(cc1.... |
2 | 2PWU | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
3 | 4Q4S | Kd = 111.6 nM | S98 | C14 H12 N6 O S | c1cc(sc1)C.... |
4 | 2QII | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
5 | 1PXG | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
6 | 4KWO | Ki = 353 nM | 1UD | C18 H24 N6 O5 | CNc1[nH]c2.... |
7 | 2Z7K | Ki = 77 nM | BGU | C9 H8 N6 O | c1c2c(cc3c.... |
8 | 3SM0 | Ki = 740 nM | AEK | C18 H24 N6 O | CNc1[nH]c2.... |
9 | 6RKQ | Ki = 48 uM | K75 | C13 H14 N6 | CC#C[C@@H].... |
10 | 4Q4P | Kd = 407.4 nM | 2YO | C16 H20 N6 O | c1c2c(cc3c.... |
11 | 1K4H | Ki = 7.7 uM | APQ | C12 H16 N4 O S | CCCSCc1cc(.... |
12 | 1EFZ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
13 | 3C2Y | Ki = 1.5 uM | S60 | C10 H9 N5 O | Cc1[nH]c2c.... |
14 | 1Y5X | Ki = 3.7 uM | E89 | C18 H17 N5 O2 | COc1ccc(cc.... |
15 | 1R5Y | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
16 | 3RR4 | Ki = 28050 nM | HRD | C11 H12 N6 O | CNc1[nH]c2.... |
17 | 3EOU | Ki = 97 nM | PK3 | C12 H14 N6 O2 | CNc1[nH]c2.... |
18 | 6FMN | Kd = 1120 nM | E4E | C15 H18 N6 O5 | CO[C@H]1[C.... |
19 | 4Q4Q | Kd = 1638.9 nM | SAQ | C14 H11 N5 O S | c1cc(sc1)C.... |
20 | 4E2V | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
21 | 2Z1X | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
22 | 5JXQ | Ki = 7 nM | 6OK | C19 H20 N6 O2 | c1cc(ccc1C.... |
23 | 1Q66 | Ki = 1.7 uM | KMB | C16 H16 N4 O S | c1ccc(cc1).... |
24 | 1N2V | Ki = 83 uM | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
25 | 1Y5W | Ki = 6.9 uM | NEZ | C18 H17 N5 O | Cc1ccc(cc1.... |
26 | 1Q63 | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
27 | 4PUL | Kd = 146.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
28 | 3GC4 | Ki = 25 nM | AAQ | C19 H21 N7 O | CNc1[nH]c2.... |
29 | 4LBU | Kd = 276 nM | 1WJ | C18 H24 N6 O5 | CNc1[nH]c2.... |
30 | 6RKT | Ki = 17 uM | K7H | C10 H12 N6 | CNc1[nH]c2.... |
31 | 2Z1W | - | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
32 | 1K4G | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
33 | 1P0E | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
34 | 4LEQ | Kd = 288 nM | 1WK | C17 H22 N6 O5 | CNc1[nH]c2.... |
35 | 1P0B | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
36 | 2POT | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 2QZR | Ki = 55 nM | S79 | C20 H16 N6 O | c1ccc2c(c1.... |
38 | 4Q4O | Kd = 34.3 nM | 2YM | C16 H21 N7 O | c1c2c(cc3c.... |
39 | 3S1G | Ki = 6500 nM | ITE | C10 H9 N5 O | CNc1[nH]c2.... |
40 | 4PUM | Kd = 188.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
41 | 1S38 | Ki = 7 uM | MAQ | C9 H9 N3 O | Cc1cccc2c1.... |
42 | 1Q65 | Ki = 3.5 uM | BHB | C13 H19 N5 O S | CN(C)CCSCc.... |
43 | 3EOS | Ki = 4 nM | PK2 | C19 H27 N7 O | CNc1[nH]c2.... |
44 | 1F3E | Ki = 0.2 uM | DPZ | C8 H8 N4 O2 | c1c(cc(c2c.... |
45 | 1Y5V | Ki = 1 uM | NE8 | C17 H15 N5 O | c1ccc(cc1).... |
46 | 1OZQ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
47 | 4PUJ | Kd = 35 nM | CKR | C15 H19 N7 O2 | c1c2c(cc3c.... |
48 | 2BBF | Ki = 7.9 uM | 344 | C9 H7 N5 O | c1c2c(cc3c.... |
49 | 6FPU | Kd = 321 nM | E48 | C21 H26 N6 O6 | CC1(O[C@@H.... |
50 | 1S39 | Ki = 20 nM | AQO | C8 H7 N3 O | c1ccc2c(c1.... |
51 | 3TLL | Ki = 40830 nM | 62D | C12 H14 N6 O | CCNC1=Nc2c.... |
52 | 4PUK | Kd = 52.4 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
53 | 2PWV | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
54 | 3GC5 | Ki = 55 nM | 2MQ | C12 H15 N7 O | CNc1[nH]c2.... |
55 | 3GE7 | Ki = 2 nM | AFQ | C18 H25 N7 O | CNc1[nH]c2.... |
56 | 4Q4R | Kd = 369.2 nM | SQO | C15 H18 N6 O2 | c1c2c(cc3c.... |
57 | 1Q4W | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1ENU | Ki = 8.3 uM | APZ | C8 H7 N3 O2 | c1cc2c(cc1.... |
2 | 2PWU | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
3 | 4Q4S | Kd = 111.6 nM | S98 | C14 H12 N6 O S | c1cc(sc1)C.... |
4 | 2QII | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
5 | 1PXG | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
6 | 4KWO | Ki = 353 nM | 1UD | C18 H24 N6 O5 | CNc1[nH]c2.... |
7 | 2Z7K | Ki = 77 nM | BGU | C9 H8 N6 O | c1c2c(cc3c.... |
8 | 3SM0 | Ki = 740 nM | AEK | C18 H24 N6 O | CNc1[nH]c2.... |
9 | 6RKQ | Ki = 48 uM | K75 | C13 H14 N6 | CC#C[C@@H].... |
10 | 4Q4P | Kd = 407.4 nM | 2YO | C16 H20 N6 O | c1c2c(cc3c.... |
11 | 1K4H | Ki = 7.7 uM | APQ | C12 H16 N4 O S | CCCSCc1cc(.... |
12 | 1EFZ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
13 | 3C2Y | Ki = 1.5 uM | S60 | C10 H9 N5 O | Cc1[nH]c2c.... |
14 | 1Y5X | Ki = 3.7 uM | E89 | C18 H17 N5 O2 | COc1ccc(cc.... |
15 | 1R5Y | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
16 | 3RR4 | Ki = 28050 nM | HRD | C11 H12 N6 O | CNc1[nH]c2.... |
17 | 3EOU | Ki = 97 nM | PK3 | C12 H14 N6 O2 | CNc1[nH]c2.... |
18 | 6FMN | Kd = 1120 nM | E4E | C15 H18 N6 O5 | CO[C@H]1[C.... |
19 | 4Q4Q | Kd = 1638.9 nM | SAQ | C14 H11 N5 O S | c1cc(sc1)C.... |
20 | 4E2V | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
21 | 2Z1X | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
22 | 5JXQ | Ki = 7 nM | 6OK | C19 H20 N6 O2 | c1cc(ccc1C.... |
23 | 1Q66 | Ki = 1.7 uM | KMB | C16 H16 N4 O S | c1ccc(cc1).... |
24 | 1N2V | Ki = 83 uM | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
25 | 1Y5W | Ki = 6.9 uM | NEZ | C18 H17 N5 O | Cc1ccc(cc1.... |
26 | 1Q63 | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
27 | 4PUL | Kd = 146.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
28 | 3GC4 | Ki = 25 nM | AAQ | C19 H21 N7 O | CNc1[nH]c2.... |
29 | 4LBU | Kd = 276 nM | 1WJ | C18 H24 N6 O5 | CNc1[nH]c2.... |
30 | 6RKT | Ki = 17 uM | K7H | C10 H12 N6 | CNc1[nH]c2.... |
31 | 2Z1W | - | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
32 | 1K4G | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
33 | 1P0E | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
34 | 4LEQ | Kd = 288 nM | 1WK | C17 H22 N6 O5 | CNc1[nH]c2.... |
35 | 1P0B | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
36 | 2POT | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 2QZR | Ki = 55 nM | S79 | C20 H16 N6 O | c1ccc2c(c1.... |
38 | 4Q4O | Kd = 34.3 nM | 2YM | C16 H21 N7 O | c1c2c(cc3c.... |
39 | 3S1G | Ki = 6500 nM | ITE | C10 H9 N5 O | CNc1[nH]c2.... |
40 | 4PUM | Kd = 188.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
41 | 1S38 | Ki = 7 uM | MAQ | C9 H9 N3 O | Cc1cccc2c1.... |
42 | 1Q65 | Ki = 3.5 uM | BHB | C13 H19 N5 O S | CN(C)CCSCc.... |
43 | 3EOS | Ki = 4 nM | PK2 | C19 H27 N7 O | CNc1[nH]c2.... |
44 | 1F3E | Ki = 0.2 uM | DPZ | C8 H8 N4 O2 | c1c(cc(c2c.... |
45 | 1Y5V | Ki = 1 uM | NE8 | C17 H15 N5 O | c1ccc(cc1).... |
46 | 1OZQ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
47 | 4PUJ | Kd = 35 nM | CKR | C15 H19 N7 O2 | c1c2c(cc3c.... |
48 | 2BBF | Ki = 7.9 uM | 344 | C9 H7 N5 O | c1c2c(cc3c.... |
49 | 6FPU | Kd = 321 nM | E48 | C21 H26 N6 O6 | CC1(O[C@@H.... |
50 | 1S39 | Ki = 20 nM | AQO | C8 H7 N3 O | c1ccc2c(c1.... |
51 | 3TLL | Ki = 40830 nM | 62D | C12 H14 N6 O | CCNC1=Nc2c.... |
52 | 4PUK | Kd = 52.4 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
53 | 2PWV | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
54 | 3GC5 | Ki = 55 nM | 2MQ | C12 H15 N7 O | CNc1[nH]c2.... |
55 | 3GE7 | Ki = 2 nM | AFQ | C18 H25 N7 O | CNc1[nH]c2.... |
56 | 4Q4R | Kd = 369.2 nM | SQO | C15 H18 N6 O2 | c1c2c(cc3c.... |
57 | 1Q4W | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
58 | 6H42 | - | GGL | C5 H9 N O4 | C(CC(=O)O).... |
59 | 6H45 | - | QEI | C12 H15 N5 O3 | c1c(c2c([n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | S98 | 0.9366 |
2 | 4QX | 0.9296 |
3 | BBP | 0.9245 |
4 | 01I | 0.9223 |
5 | NIF | 0.9188 |
6 | BGU | 0.9181 |
7 | SO7 | 0.9152 |
8 | 20D | 0.9121 |
9 | DFL | 0.9115 |
10 | 1V1 | 0.9083 |
11 | AGI | 0.9078 |
12 | A73 | 0.9070 |
13 | YZ9 | 0.9058 |
14 | LUM | 0.9051 |
15 | RGK | 0.9045 |
16 | AO | 0.9042 |
17 | 27F | 0.9038 |
18 | 25F | 0.9033 |
19 | A63 | 0.9007 |
20 | 08C | 0.8997 |
21 | ITE | 0.8996 |
22 | 1UZ | 0.8992 |
23 | NRA | 0.8989 |
24 | 1DR | 0.8984 |
25 | PRL | 0.8975 |
26 | 3Q0 | 0.8971 |
27 | CLI | 0.8969 |
28 | 1V0 | 0.8963 |
29 | NKI | 0.8959 |
30 | CUE | 0.8959 |
31 | SZ5 | 0.8945 |
32 | NAR | 0.8938 |
33 | 3F4 | 0.8934 |
34 | AZN | 0.8932 |
35 | SDN | 0.8932 |
36 | MBT | 0.8922 |
37 | FSE | 0.8916 |
38 | O9Z | 0.8914 |
39 | F36 | 0.8908 |
40 | HH6 | 0.8907 |
41 | 1V3 | 0.8905 |
42 | 4UE | 0.8905 |
43 | LC1 | 0.8894 |
44 | 785 | 0.8891 |
45 | O9T | 0.8890 |
46 | K8W | 0.8889 |
47 | 0SX | 0.8881 |
48 | 123 | 0.8880 |
49 | 7G2 | 0.8880 |
50 | A8D | 0.8879 |
51 | 802 | 0.8874 |
52 | 1UT | 0.8870 |
53 | S60 | 0.8865 |
54 | IDZ | 0.8865 |
55 | A9B | 0.8859 |
56 | H4B | 0.8858 |
57 | 6ZE | 0.8855 |
58 | 4UM | 0.8855 |
59 | K4T | 0.8855 |
60 | 1E5 | 0.8853 |
61 | 4R0 | 0.8853 |
62 | ADL | 0.8852 |
63 | DFV | 0.8850 |
64 | 1UR | 0.8849 |
65 | KMP | 0.8848 |
66 | KLV | 0.8832 |
67 | CR4 | 0.8831 |
68 | 3Q1 | 0.8825 |
69 | 40N | 0.8824 |
70 | 91F | 0.8822 |
71 | 1V4 | 0.8820 |
72 | DX7 | 0.8818 |
73 | KU1 | 0.8815 |
74 | Q8D | 0.8808 |
75 | 6JM | 0.8807 |
76 | BMZ | 0.8798 |
77 | 5WT | 0.8797 |
78 | F40 | 0.8791 |
79 | LU2 | 0.8789 |
80 | BRY | 0.8789 |
81 | 7KE | 0.8789 |
82 | ZSP | 0.8788 |
83 | DDC | 0.8787 |
84 | KWV | 0.8787 |
85 | WLH | 0.8786 |
86 | 1FE | 0.8782 |
87 | A05 | 0.8775 |
88 | LZ7 | 0.8775 |
89 | 6JO | 0.8774 |
90 | 27M | 0.8774 |
91 | 57U | 0.8772 |
92 | CWE | 0.8767 |
93 | JRO | 0.8765 |
94 | 272 | 0.8762 |
95 | M3W | 0.8758 |
96 | 5WW | 0.8757 |
97 | KK7 | 0.8755 |
98 | P7V | 0.8754 |
99 | 120 | 0.8749 |
100 | QUE | 0.8745 |
101 | ENY | 0.8740 |
102 | Q8G | 0.8739 |
103 | 1V8 | 0.8736 |
104 | 907 | 0.8736 |
105 | 97K | 0.8733 |
106 | 4AU | 0.8726 |
107 | AJG | 0.8725 |
108 | 517 | 0.8724 |
109 | AQN | 0.8724 |
110 | BIT | 0.8721 |
111 | KM2 | 0.8714 |
112 | NPX | 0.8714 |
113 | BU7 | 0.8714 |
114 | MT6 | 0.8713 |
115 | A64 | 0.8712 |
116 | 72G | 0.8711 |
117 | U4J | 0.8711 |
118 | 122 | 0.8711 |
119 | 334 | 0.8709 |
120 | 29F | 0.8706 |
121 | XAV | 0.8706 |
122 | P4L | 0.8706 |
123 | 3JC | 0.8702 |
124 | EMO | 0.8700 |
125 | 0UL | 0.8698 |
126 | 7FU | 0.8695 |
127 | 57D | 0.8693 |
128 | VT3 | 0.8690 |
129 | FX5 | 0.8687 |
130 | 8M5 | 0.8683 |
131 | EY2 | 0.8677 |
132 | 8XT | 0.8677 |
133 | K7H | 0.8676 |
134 | W8L | 0.8676 |
135 | SAK | 0.8670 |
136 | 2PW | 0.8670 |
137 | DX2 | 0.8669 |
138 | 39Z | 0.8667 |
139 | 801 | 0.8667 |
140 | TCR | 0.8666 |
141 | H2W | 0.8664 |
142 | 3WL | 0.8663 |
143 | SNJ | 0.8662 |
144 | 609 | 0.8660 |
145 | CDJ | 0.8659 |
146 | EZL | 0.8655 |
147 | T21 | 0.8655 |
148 | E9L | 0.8653 |
149 | Z3R | 0.8653 |
150 | LI7 | 0.8650 |
151 | SU9 | 0.8649 |
152 | 06R | 0.8648 |
153 | 6B5 | 0.8648 |
154 | AD6 | 0.8645 |
155 | 3G8 | 0.8643 |
156 | O53 | 0.8639 |
157 | MRI | 0.8639 |
158 | J1K | 0.8639 |
159 | 344 | 0.8637 |
160 | 47V | 0.8634 |
161 | NU3 | 0.8629 |
162 | 3Q2 | 0.8628 |
163 | 6FX | 0.8628 |
164 | GUS | 0.8623 |
165 | ZHA | 0.8622 |
166 | YE7 | 0.8620 |
167 | 4HG | 0.8617 |
168 | AJ1 | 0.8616 |
169 | M3F | 0.8611 |
170 | 79X | 0.8609 |
171 | 0SY | 0.8608 |
172 | HRM | 0.8608 |
173 | RHN | 0.8604 |
174 | IXM | 0.8603 |
175 | 9CE | 0.8596 |
176 | MR6 | 0.8590 |
177 | NOM | 0.8589 |
178 | LFN | 0.8589 |
179 | 6F3 | 0.8587 |
180 | UMP | 0.8584 |
181 | GNY | 0.8581 |
182 | OLU | 0.8577 |
183 | HNT | 0.8577 |
184 | ZRK | 0.8577 |
185 | L03 | 0.8576 |
186 | 6JP | 0.8572 |
187 | LIG | 0.8572 |
188 | EXN | 0.8569 |
189 | F08 | 0.8566 |
190 | 0NJ | 0.8563 |
191 | GN5 | 0.8561 |
192 | DN8 | 0.8560 |
193 | ZRL | 0.8556 |
194 | ZAR | 0.8556 |
195 | INR | 0.8550 |
196 | JL7 | 0.8545 |
197 | YI1 | 0.8540 |
198 | 0H5 | 0.8537 |
199 | FDZ | 0.8532 |
200 | 8EQ | 0.8528 |
201 | 6BK | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 3ge7.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3ge7.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |