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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 41 families. | |||||
1 | 5QAE | Kd = 240 uM | Q4G | C13 H9 F O2 | c1cc(cc(c1.... |
2 | 5QAW | Kd = 400 uM | TVC | C17 H12 O2 | c1ccc2cc(c.... |
3 | 5QAJ | Kd = 330 uM | VBC | C13 H11 N O2 | c1cc(cc(c1.... |
4 | 5QB2 | Kd = 70 uM | U3M | C25 H16 N2 O2 | c1cc2ccc(c.... |
5 | 5QAV | Kd = 70 uM | L43 | C14 H10 N4 O2 | c1cc(cc(c1.... |
6 | 5QAK | Kd = 220 uM | AV4 | C15 H15 N O2 | CN(C)c1ccc.... |
7 | 5QAS | Kd = 190 uM | CVF | C17 H17 N O3 | CC(=O)NCCc.... |
8 | 5QAZ | Kd = 400 uM | Q2S | C15 H11 N O2 | c1cc(cc(c1.... |
9 | 5QAP | Kd = 100 uM | AV7 | C15 H13 N O3 | CC(=O)Nc1c.... |
10 | 5QB1 | Kd = 20 uM | F1C | C23 H20 N2 O4 | CC(=O)Nc1c.... |
11 | 5QAU | Kd = 70 uM | V7V | C14 H10 N4 O2 | c1cc(cc(c1.... |
12 | 5QAC | Kd = 250 uM | U4J | C14 H12 O3 | COc1ccc(cc.... |
13 | 5DTT | Kd = 310 uM | 5F5 | C10 H7 N O2 S | c1cc(cc(c1.... |
14 | 5QAR | Kd = 170 uM | QIU | C17 H17 N O3 | CC(=O)NCCc.... |
15 | 5QAT | Kd = 140 uM | T7O | C16 H14 O4 | CC(=O)OCc1.... |
16 | 5QAD | Kd = 170 uM | WVV | C13 H9 F O2 | c1ccc(c(c1.... |
17 | 6P9C | - | 4J6 | C15 H26 N4 O6 S2 | C[C@@H]1[C.... |
18 | 5QA9 | Kd = 230 uM | QKU | C14 H12 O3 | c1cc(cc(c1.... |
19 | 5QAN | Kd = 110 uM | M8Q | C15 H15 N O4 S | CS(=O)(=O).... |
20 | 5QAH | Kd = 144 uM | EFX | C15 H12 O4 | COC(=O)c1c.... |
21 | 6UVK | Ki = 0.53 uM | QHY | C21 H28 N6 O3 | CCOc1ccccc.... |
22 | 5QAQ | Kd = 290 uM | S1C | C15 H13 N O3 | CC(=O)Nc1c.... |
23 | 5DTK | Kd = 50 uM | 5F3 | C17 H12 N2 O2 | c1cnccc1c2.... |
24 | 5QB0 | Kd = 159 uM | AVA | C12 H9 N O2 | c1ccnc(c1).... |
25 | 5QAF | Kd = 312 uM | S1D | C13 H9 F O2 | c1cc(cc(c1.... |
26 | 5QA4 | Kd = 170 uM | TI7 | C14 H12 O2 | Cc1ccccc1c.... |
27 | 5QAA | Kd = 123 uM | EAJ | C14 H12 O3 | COc1ccccc1.... |
28 | 5QAO | Kd = 240 uM | Z8R | C15 H15 N O4 S | CS(=O)(=O).... |
29 | 5QAB | Kd = 226 uM | XEV | C14 H12 O3 | COc1cccc(c.... |
30 | 5QA7 | Kd = 110 uM | IQQ | C13 H10 O3 | c1cc(cc(c1.... |
31 | 5QAI | Kd = 150 uM | VM7 | C14 H12 O4 S | CS(=O)(=O).... |
32 | 5QB3 | Kd = 49 uM | AVM | C24 H18 N2 O3 | CC(=O)Nc1c.... |
33 | 5QA5 | Kd = 300 uM | L5D | C14 H12 O2 | Cc1cccc(c1.... |
34 | 5QA8 | Kd = 170 uM | JSX | C13 H10 O3 | c1cc(cc(c1.... |
35 | 5QAL | Kd = 350 uM | TVZ | C14 H11 N O3 | c1cc(cc(c1.... |
36 | 5DVA | Kd = 280 uM | 5FL | C12 H9 N O2 | c1cc(cc(c1.... |
37 | 6PK0 | - | HIW | C12 H19 N3 O5 S | [H]/N=CNCC.... |
38 | 5QAY | Kd = 590 uM | X6P | C12 H11 N O2 | Cn1cccc1c2.... |
39 | 6P99 | - | 1RG | C22 H27 N3 O7 S | C[C@@H]1[C.... |
40 | 5QA6 | Kd = 175 uM | AUV | C13 H10 O3 | c1ccc(c(c1.... |
41 | 5QAM | Kd = 100 uM | GA6 | C14 H13 N O4 S | CS(=O)(=O).... |
42 | 5DTS | Kd = 280 uM | 5F8 | C12 H9 N O2 | c1cc(cc(c1.... |
43 | 5QAX | Kd = 160 uM | Q92 | C16 H11 N O2 | c1cc(cc(c1.... |
44 | 5QAG | Kd = 200 uM | Q2R | C15 H12 O4 | COC(=O)c1c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 5QAE | Kd = 240 uM | Q4G | C13 H9 F O2 | c1cc(cc(c1.... |
2 | 5QAW | Kd = 400 uM | TVC | C17 H12 O2 | c1ccc2cc(c.... |
3 | 5QAJ | Kd = 330 uM | VBC | C13 H11 N O2 | c1cc(cc(c1.... |
4 | 5QB2 | Kd = 70 uM | U3M | C25 H16 N2 O2 | c1cc2ccc(c.... |
5 | 5QAV | Kd = 70 uM | L43 | C14 H10 N4 O2 | c1cc(cc(c1.... |
6 | 5QAK | Kd = 220 uM | AV4 | C15 H15 N O2 | CN(C)c1ccc.... |
7 | 5QAS | Kd = 190 uM | CVF | C17 H17 N O3 | CC(=O)NCCc.... |
8 | 5QAZ | Kd = 400 uM | Q2S | C15 H11 N O2 | c1cc(cc(c1.... |
9 | 5QAP | Kd = 100 uM | AV7 | C15 H13 N O3 | CC(=O)Nc1c.... |
10 | 5QB1 | Kd = 20 uM | F1C | C23 H20 N2 O4 | CC(=O)Nc1c.... |
11 | 5QAU | Kd = 70 uM | V7V | C14 H10 N4 O2 | c1cc(cc(c1.... |
12 | 5QAC | Kd = 250 uM | U4J | C14 H12 O3 | COc1ccc(cc.... |
13 | 5DTT | Kd = 310 uM | 5F5 | C10 H7 N O2 S | c1cc(cc(c1.... |
14 | 5QAR | Kd = 170 uM | QIU | C17 H17 N O3 | CC(=O)NCCc.... |
15 | 5QAT | Kd = 140 uM | T7O | C16 H14 O4 | CC(=O)OCc1.... |
16 | 5QAD | Kd = 170 uM | WVV | C13 H9 F O2 | c1ccc(c(c1.... |
17 | 6P9C | - | 4J6 | C15 H26 N4 O6 S2 | C[C@@H]1[C.... |
18 | 5QA9 | Kd = 230 uM | QKU | C14 H12 O3 | c1cc(cc(c1.... |
19 | 5QAN | Kd = 110 uM | M8Q | C15 H15 N O4 S | CS(=O)(=O).... |
20 | 5QAH | Kd = 144 uM | EFX | C15 H12 O4 | COC(=O)c1c.... |
21 | 6UVK | Ki = 0.53 uM | QHY | C21 H28 N6 O3 | CCOc1ccccc.... |
22 | 5QAQ | Kd = 290 uM | S1C | C15 H13 N O3 | CC(=O)Nc1c.... |
23 | 5DTK | Kd = 50 uM | 5F3 | C17 H12 N2 O2 | c1cnccc1c2.... |
24 | 5QB0 | Kd = 159 uM | AVA | C12 H9 N O2 | c1ccnc(c1).... |
25 | 5QAF | Kd = 312 uM | S1D | C13 H9 F O2 | c1cc(cc(c1.... |
26 | 5QA4 | Kd = 170 uM | TI7 | C14 H12 O2 | Cc1ccccc1c.... |
27 | 5QAA | Kd = 123 uM | EAJ | C14 H12 O3 | COc1ccccc1.... |
28 | 5QAO | Kd = 240 uM | Z8R | C15 H15 N O4 S | CS(=O)(=O).... |
29 | 5QAB | Kd = 226 uM | XEV | C14 H12 O3 | COc1cccc(c.... |
30 | 5QA7 | Kd = 110 uM | IQQ | C13 H10 O3 | c1cc(cc(c1.... |
31 | 5QAI | Kd = 150 uM | VM7 | C14 H12 O4 S | CS(=O)(=O).... |
32 | 5QB3 | Kd = 49 uM | AVM | C24 H18 N2 O3 | CC(=O)Nc1c.... |
33 | 5QA5 | Kd = 300 uM | L5D | C14 H12 O2 | Cc1cccc(c1.... |
34 | 5QA8 | Kd = 170 uM | JSX | C13 H10 O3 | c1cc(cc(c1.... |
35 | 5QAL | Kd = 350 uM | TVZ | C14 H11 N O3 | c1cc(cc(c1.... |
36 | 5DVA | Kd = 280 uM | 5FL | C12 H9 N O2 | c1cc(cc(c1.... |
37 | 6PK0 | - | HIW | C12 H19 N3 O5 S | [H]/N=CNCC.... |
38 | 5QAY | Kd = 590 uM | X6P | C12 H11 N O2 | Cn1cccc1c2.... |
39 | 6P99 | - | 1RG | C22 H27 N3 O7 S | C[C@@H]1[C.... |
40 | 5QA6 | Kd = 175 uM | AUV | C13 H10 O3 | c1ccc(c(c1.... |
41 | 5QAM | Kd = 100 uM | GA6 | C14 H13 N O4 S | CS(=O)(=O).... |
42 | 5DTS | Kd = 280 uM | 5F8 | C12 H9 N O2 | c1cc(cc(c1.... |
43 | 5QAX | Kd = 160 uM | Q92 | C16 H11 N O2 | c1cc(cc(c1.... |
44 | 5QAG | Kd = 200 uM | Q2R | C15 H12 O4 | COC(=O)c1c.... |
45 | 4K0W | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
46 | 6N6T | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
47 | 4JF5 | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
48 | 5TG5 | - | JW8 | C9 H12 B N O4 S | B(c1ccc(cc.... |
49 | 2WGV | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GA6 | 0.9707 |
2 | L43 | 0.9490 |
3 | TVC | 0.9442 |
4 | Q92 | 0.9440 |
5 | U4J | 0.9322 |
6 | 72H | 0.9292 |
7 | 797 | 0.9276 |
8 | A05 | 0.9259 |
9 | 55H | 0.9232 |
10 | 2UV | 0.9223 |
11 | 31F | 0.9220 |
12 | A63 | 0.9216 |
13 | O53 | 0.9202 |
14 | NZ4 | 0.9187 |
15 | 802 | 0.9181 |
16 | 72G | 0.9175 |
17 | GN5 | 0.9173 |
18 | 08C | 0.9161 |
19 | 7DE | 0.9158 |
20 | 32F | 0.9156 |
21 | 1UR | 0.9149 |
22 | 3K1 | 0.9144 |
23 | F08 | 0.9143 |
24 | 1V0 | 0.9143 |
25 | 1UT | 0.9140 |
26 | 0DJ | 0.9135 |
27 | A64 | 0.9127 |
28 | W2E | 0.9126 |
29 | Z8R | 0.9123 |
30 | F36 | 0.9120 |
31 | 06R | 0.9119 |
32 | 123 | 0.9111 |
33 | 27F | 0.9105 |
34 | 23M | 0.9096 |
35 | XAV | 0.9096 |
36 | AO | 0.9094 |
37 | 1UZ | 0.9091 |
38 | ENY | 0.9086 |
39 | LZ7 | 0.9068 |
40 | 5YA | 0.9061 |
41 | 97K | 0.9060 |
42 | 29F | 0.9049 |
43 | HV4 | 0.9042 |
44 | 1UW | 0.9023 |
45 | JL7 | 0.9021 |
46 | 120 | 0.9011 |
47 | 122 | 0.9008 |
48 | WF4 | 0.9007 |
49 | 2ZI | 0.9000 |
50 | 801 | 0.8999 |
51 | 3MI | 0.8997 |
52 | 1VG | 0.8996 |
53 | 9B2 | 0.8994 |
54 | CR4 | 0.8992 |
55 | 124 | 0.8987 |
56 | 334 | 0.8980 |
57 | 3TI | 0.8973 |
58 | U55 | 0.8972 |
59 | 9C8 | 0.8962 |
60 | BMU | 0.8954 |
61 | 907 | 0.8947 |
62 | KWV | 0.8942 |
63 | 97Z | 0.8940 |
64 | 91F | 0.8940 |
65 | IY5 | 0.8937 |
66 | 338 | 0.8933 |
67 | F1T | 0.8932 |
68 | IGP | 0.8928 |
69 | KVD | 0.8927 |
70 | 1V8 | 0.8920 |
71 | 5WW | 0.8915 |
72 | 121 | 0.8912 |
73 | N5B | 0.8910 |
74 | 47X | 0.8908 |
75 | F33 | 0.8906 |
76 | AU6 | 0.8905 |
77 | U32 | 0.8900 |
78 | BMZ | 0.8895 |
79 | FDZ | 0.8892 |
80 | BMC | 0.8890 |
81 | SNP | 0.8886 |
82 | VIB | 0.8886 |
83 | 65W | 0.8885 |
84 | OSY | 0.8885 |
85 | Q2S | 0.8884 |
86 | B7H | 0.8884 |
87 | 0FZ | 0.8884 |
88 | C0V | 0.8883 |
89 | M16 | 0.8882 |
90 | BX4 | 0.8879 |
91 | CT7 | 0.8873 |
92 | S16 | 0.8872 |
93 | BXS | 0.8868 |
94 | 9AW | 0.8866 |
95 | ESJ | 0.8865 |
96 | MI2 | 0.8864 |
97 | A9E | 0.8853 |
98 | F38 | 0.8849 |
99 | EEY | 0.8849 |
100 | 6QT | 0.8841 |
101 | 1Q1 | 0.8840 |
102 | FBC | 0.8829 |
103 | GW9 | 0.8828 |
104 | GF7 | 0.8827 |
105 | M8Q | 0.8826 |
106 | 3Q0 | 0.8812 |
107 | A73 | 0.8812 |
108 | RGK | 0.8806 |
109 | LZ4 | 0.8804 |
110 | A45 | 0.8802 |
111 | XEV | 0.8802 |
112 | MRE | 0.8801 |
113 | BO1 | 0.8801 |
114 | JSX | 0.8796 |
115 | 5TU | 0.8795 |
116 | UV4 | 0.8791 |
117 | 8XY | 0.8791 |
118 | 25F | 0.8790 |
119 | 80R | 0.8789 |
120 | 785 | 0.8789 |
121 | 6FX | 0.8788 |
122 | JFS | 0.8787 |
123 | S1D | 0.8785 |
124 | 1SF | 0.8784 |
125 | 1V1 | 0.8783 |
126 | RNP | 0.8781 |
127 | 3CA | 0.8777 |
128 | NKI | 0.8771 |
129 | 39R | 0.8770 |
130 | OJ7 | 0.8768 |
131 | L8N | 0.8764 |
132 | 4K9 | 0.8756 |
133 | T21 | 0.8754 |
134 | IPJ | 0.8754 |
135 | JKN | 0.8753 |
136 | 6T5 | 0.8753 |
137 | CDJ | 0.8750 |
138 | 68Q | 0.8749 |
139 | FHI | 0.8748 |
140 | W8L | 0.8744 |
141 | JZ8 | 0.8741 |
142 | SJR | 0.8741 |
143 | A8D | 0.8741 |
144 | 1SX | 0.8739 |
145 | JTE | 0.8735 |
146 | VGV | 0.8732 |
147 | KWK | 0.8731 |
148 | 1FL | 0.8730 |
149 | 20D | 0.8730 |
150 | 90G | 0.8729 |
151 | GQZ | 0.8726 |
152 | AD6 | 0.8726 |
153 | J2W | 0.8724 |
154 | 0NJ | 0.8723 |
155 | MT6 | 0.8723 |
156 | H2W | 0.8721 |
157 | 6JO | 0.8721 |
158 | 83D | 0.8719 |
159 | DFL | 0.8718 |
160 | 3G5 | 0.8717 |
161 | 7FC | 0.8717 |
162 | 3JD | 0.8716 |
163 | 4WA | 0.8714 |
164 | SZ5 | 0.8711 |
165 | 1HP | 0.8708 |
166 | ECZ | 0.8705 |
167 | 147 | 0.8702 |
168 | 8UY | 0.8701 |
169 | OQR | 0.8700 |
170 | 7FZ | 0.8700 |
171 | P34 | 0.8697 |
172 | NU3 | 0.8687 |
173 | 57U | 0.8686 |
174 | J45 | 0.8685 |
175 | OAQ | 0.8680 |
176 | CWE | 0.8678 |
177 | E9L | 0.8678 |
178 | 4UE | 0.8676 |
179 | JTK | 0.8675 |
180 | M00 | 0.8672 |
181 | E90 | 0.8669 |
182 | AGI | 0.8669 |
183 | 8EC | 0.8665 |
184 | 856 | 0.8664 |
185 | J8D | 0.8662 |
186 | DFV | 0.8661 |
187 | LD9 | 0.8659 |
188 | 3F4 | 0.8655 |
189 | AJ8 | 0.8654 |
190 | EUN | 0.8653 |
191 | WDW | 0.8652 |
192 | F5N | 0.8647 |
193 | LU2 | 0.8646 |
194 | FO2 | 0.8645 |
195 | BBP | 0.8641 |
196 | KHP | 0.8639 |
197 | 8E3 | 0.8637 |
198 | J5Z | 0.8636 |
199 | HTK | 0.8633 |
200 | 6JP | 0.8631 |
201 | 15Q | 0.8630 |
202 | L2K | 0.8629 |
203 | O9T | 0.8628 |
204 | GVI | 0.8627 |
205 | O9Z | 0.8624 |
206 | 7GK | 0.8623 |
207 | OLU | 0.8621 |
208 | IEE | 0.8620 |
209 | 3DL | 0.8605 |
210 | M3W | 0.8602 |
211 | 1NE | 0.8592 |
212 | 88S | 0.8587 |
213 | NVS | 0.8581 |
214 | 4UM | 0.8581 |
215 | 0XR | 0.8549 |
This union binding pocket(no: 1) in the query (biounit: 6uvk.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6uvk.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6uvk.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6uvk.bio2) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |