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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 1 families. | |||||
1 | 2GQ3 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
2 | 5E9X | - | 5LA | C7 H4 Cl N O2 S | c1c2cc(sc2.... |
3 | 5C9U | - | 4Z1 | C8 H6 Cl2 N2 O3 | c1cc(c(cc1.... |
4 | 6BA7 | ic50 = 0.007 uM | D1Y | C10 H7 Cl O5 | c1cc(c(cc1.... |
5 | 5CBI | - | 4ZC | C7 H4 Cl N O | c1cc(c(cc1.... |
6 | 1N8I | - | GLV | C2 H2 O3 | C(=O)C(=O).... |
7 | 5C9R | - | 4YZ | C9 H9 Cl O2 S | c1cc(ccc1S.... |
8 | 5CBJ | - | 4ZD | C9 H8 O2 S | c1ccc(cc1).... |
9 | 5CAH | - | 4ZA | C7 H5 N O2 S | c1csc2c1cc.... |
10 | 5C9X | - | 4Z4 | C7 H3 Cl2 F O2 | c1c(c(cc(c.... |
11 | 6AS6 | ic50 = 15.2 uM | BSV | C14 H14 O4 | Cc1ccc(cc1.... |
12 | 5CJN | - | 52F | C11 H10 N2 O3 | c1ccc2c(c1.... |
13 | 6DNP | ic50 = 6.6 uM | GZV | C11 H8 F2 O4 | Cc1ccc(c(c.... |
14 | 5CCZ | - | 50C | C10 H10 F N3 | Cc1c(n[nH].... |
15 | 6DKO | ic50 = 1.6 uM | GXG | C10 H6 F2 O4 | c1cc(c(c(c.... |
16 | 6C6O | ic50 = 0.005 uM | ENG | C10 H7 Br O5 | c1cc(c(cc1.... |
17 | 6APZ | ic50 = 0.15 uM | BQ4 | C10 H8 O5 | c1cc(cc(c1.... |
18 | 6AXB | ic50 = 0.5 uM | C0V | C14 H10 O4 | c1ccc2cc(c.... |
19 | 1D8C | - | SOR | C6 H14 O6 | C([C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 6BU1 | ic50 = 0.06 uM | E9S | C10 H7 Br O5 | c1cc(c(c(c.... |
2 | 5C9W | - | 4Z3 | C8 H7 Br N2 O2 | c1ccc(c(c1.... |
3 | 6C8P | ic50 = 0.2 uM | EQA | C10 H7 F O4 | c1ccc(c(c1.... |
4 | 5DRC | - | 5ER | C12 H9 N O4 | c1ccc2c(c1.... |
5 | 5DX7 | - | 5H6 | C8 H4 Cl N O3 S | c1cc(sc1c2.... |
6 | 5ECV | - | 5M2 | C13 H11 N O4 | Cc1c2cc[nH.... |
7 | 5CBB | - | 4ZF | C12 H9 N3 O2 | c1ccc2c(c1.... |
8 | 5C7V | - | PYC | C5 H4 N O2 | c1cc([nH]c.... |
9 | 2GQ3 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
10 | 5E9X | - | 5LA | C7 H4 Cl N O2 S | c1c2cc(sc2.... |
11 | 5C9U | - | 4Z1 | C8 H6 Cl2 N2 O3 | c1cc(c(cc1.... |
12 | 6BA7 | ic50 = 0.007 uM | D1Y | C10 H7 Cl O5 | c1cc(c(cc1.... |
13 | 5CBI | - | 4ZC | C7 H4 Cl N O | c1cc(c(cc1.... |
14 | 1N8I | - | GLV | C2 H2 O3 | C(=O)C(=O).... |
15 | 5C9R | - | 4YZ | C9 H9 Cl O2 S | c1cc(ccc1S.... |
16 | 5CBJ | - | 4ZD | C9 H8 O2 S | c1ccc(cc1).... |
17 | 5CAH | - | 4ZA | C7 H5 N O2 S | c1csc2c1cc.... |
18 | 5C9X | - | 4Z4 | C7 H3 Cl2 F O2 | c1c(c(cc(c.... |
19 | 6AS6 | ic50 = 15.2 uM | BSV | C14 H14 O4 | Cc1ccc(cc1.... |
20 | 5CJN | - | 52F | C11 H10 N2 O3 | c1ccc2c(c1.... |
21 | 6DNP | ic50 = 6.6 uM | GZV | C11 H8 F2 O4 | Cc1ccc(c(c.... |
22 | 5CCZ | - | 50C | C10 H10 F N3 | Cc1c(n[nH].... |
23 | 6DKO | ic50 = 1.6 uM | GXG | C10 H6 F2 O4 | c1cc(c(c(c.... |
24 | 6C6O | ic50 = 0.005 uM | ENG | C10 H7 Br O5 | c1cc(c(cc1.... |
25 | 6APZ | ic50 = 0.15 uM | BQ4 | C10 H8 O5 | c1cc(cc(c1.... |
26 | 6AXB | ic50 = 0.5 uM | C0V | C14 H10 O4 | c1ccc2cc(c.... |
27 | 6C7B | ic50 = 1.5 uM | ENY | C15 H12 O5 | COc1ccc2cc.... |
28 | 5CEW | - | 6MW | C9 H10 N2 O2 S | c1cnccc1[C.... |
29 | 5CAK | - | 4Z9 | C11 H11 N O3 | c1ccc2c(c1.... |
30 | 6ASU | ic50 = 6.1 uM | BVS | C11 H10 O4 | Cc1ccc(cc1.... |
31 | 6AU9 | ic50 = 1.1 uM | BXS | C12 H10 O6 | c1cc2c(cc1.... |
32 | 5CJM | - | 4WL | C7 H5 N O2 S | c1csc2c1[n.... |
33 | 6DL9 | ic50 = 1 uM | GXD | C10 H6 Cl2 O4 | c1cc(c(c(c.... |
34 | 5T8G | - | 4Z0 | C9 H6 O5 S | c1cc(sc1)C.... |
35 | 1D8C | - | SOR | C6 H14 O6 | C([C@@H]([.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EQA | 0.9484 |
2 | XI7 | 0.9417 |
3 | 1SF | 0.9405 |
4 | 0K7 | 0.9366 |
5 | AUV | 0.9351 |
6 | DUR | 0.9349 |
7 | LR2 | 0.9344 |
8 | GXG | 0.9343 |
9 | GXD | 0.9341 |
10 | KYN | 0.9320 |
11 | JSX | 0.9320 |
12 | CUT | 0.9308 |
13 | H48 | 0.9302 |
14 | 3TC | 0.9276 |
15 | 848 | 0.9264 |
16 | DCZ | 0.9251 |
17 | BVS | 0.9244 |
18 | S1D | 0.9243 |
19 | 8OB | 0.9240 |
20 | VBC | 0.9234 |
21 | 8OE | 0.9233 |
22 | FCD | 0.9214 |
23 | 22F | 0.9192 |
24 | TCC | 0.9190 |
25 | 5C1 | 0.9187 |
26 | LTT | 0.9177 |
27 | AMR | 0.9171 |
28 | 4FP | 0.9161 |
29 | LLT | 0.9153 |
30 | PLP | 0.9141 |
31 | 4OG | 0.9132 |
32 | Q4G | 0.9115 |
33 | U4J | 0.9109 |
34 | EAJ | 0.9107 |
35 | FPL | 0.9104 |
36 | ZIQ | 0.9098 |
37 | ETV | 0.9095 |
38 | 36M | 0.9087 |
39 | IQQ | 0.9082 |
40 | PMP | 0.9081 |
41 | HNM | 0.9073 |
42 | DBS | 0.9068 |
43 | TRP | 0.9064 |
44 | S0F | 0.9063 |
45 | CUH | 0.9062 |
46 | MP5 | 0.9056 |
47 | TYR | 0.9050 |
48 | LDC | 0.9048 |
49 | PQT | 0.9048 |
50 | HWD | 0.9038 |
51 | 0OY | 0.9035 |
52 | THM | 0.9034 |
53 | EQW | 0.9030 |
54 | 27K | 0.9026 |
55 | 6C5 | 0.9023 |
56 | FWD | 0.9022 |
57 | FT6 | 0.9019 |
58 | URI | 0.9018 |
59 | 1ER | 0.8997 |
60 | A7Q | 0.8995 |
61 | XIF XYP | 0.8995 |
62 | LTN | 0.8993 |
63 | 9F8 | 0.8990 |
64 | XYP XIF | 0.8987 |
65 | HMZ | 0.8985 |
66 | PXP | 0.8979 |
67 | 6WR | 0.8978 |
68 | C53 | 0.8974 |
69 | GZV | 0.8968 |
70 | D2G | 0.8964 |
71 | 3GV | 0.8958 |
72 | 5M2 | 0.8948 |
73 | BWD | 0.8945 |
74 | MW5 | 0.8944 |
75 | Z70 | 0.8944 |
76 | D1G | 0.8943 |
77 | FTV | 0.8943 |
78 | PYU | 0.8939 |
79 | 5TO | 0.8937 |
80 | YE6 | 0.8936 |
81 | API | 0.8935 |
82 | Q5M | 0.8925 |
83 | 9VZ | 0.8924 |
84 | OSB | 0.8924 |
85 | C82 | 0.8922 |
86 | IWD | 0.8919 |
87 | MJ5 | 0.8917 |
88 | 3IP | 0.8916 |
89 | H4B | 0.8913 |
90 | CFA | 0.8913 |
91 | B5A | 0.8911 |
92 | BZM | 0.8909 |
93 | YF3 | 0.8907 |
94 | XYP XDN | 0.8905 |
95 | ENO | 0.8900 |
96 | HBI | 0.8894 |
97 | 0A1 | 0.8891 |
98 | B41 | 0.8891 |
99 | 6ZX | 0.8889 |
100 | CH8 | 0.8886 |
101 | TPM | 0.8884 |
102 | S46 | 0.8880 |
103 | 4CF | 0.8880 |
104 | 5MD | 0.8878 |
105 | CWD | 0.8876 |
106 | DDU | 0.8872 |
107 | 1HR | 0.8866 |
108 | 5PV | 0.8864 |
109 | EXL | 0.8863 |
110 | 0XR | 0.8863 |
111 | M2E | 0.8861 |
112 | THU | 0.8858 |
113 | CX4 | 0.8856 |
114 | 3IL | 0.8855 |
115 | HX8 | 0.8850 |
116 | M74 | 0.8849 |
117 | SCT | 0.8848 |
118 | 9VQ | 0.8848 |
119 | 5WN | 0.8845 |
120 | 5O6 | 0.8843 |
121 | A7K | 0.8841 |
122 | G6P | 0.8841 |
123 | 2TU | 0.8840 |
124 | TYC | 0.8840 |
125 | HA6 | 0.8839 |
126 | JF5 | 0.8839 |
127 | 3D1 | 0.8837 |
128 | G30 | 0.8836 |
129 | JVD | 0.8835 |
130 | JPQ | 0.8834 |
131 | XDN XYP | 0.8832 |
132 | 3SU | 0.8829 |
133 | PZP | 0.8828 |
134 | AR3 | 0.8826 |
135 | BSA | 0.8825 |
136 | XDL XYP | 0.8824 |
137 | 6C9 | 0.8822 |
138 | WV7 | 0.8820 |
139 | Y4L | 0.8818 |
140 | EUH | 0.8817 |
141 | AHU | 0.8816 |
142 | XIL | 0.8815 |
143 | MMS | 0.8815 |
144 | I2E | 0.8814 |
145 | F63 | 0.8813 |
146 | 5AE | 0.8813 |
147 | BQ2 | 0.8808 |
148 | RNK | 0.8807 |
149 | 96Z | 0.8803 |
150 | TOH | 0.8798 |
151 | C0H | 0.8795 |
152 | JGY | 0.8792 |
153 | D8Q | 0.8787 |
154 | FCW | 0.8785 |
155 | 3L1 | 0.8784 |
156 | EYJ | 0.8783 |
157 | TOM | 0.8783 |
158 | MCY | 0.8780 |
159 | PH3 | 0.8776 |
160 | 6J5 | 0.8774 |
161 | AZY | 0.8771 |
162 | NPX | 0.8766 |
163 | 0DN | 0.8764 |
164 | 78U | 0.8764 |
165 | 657 | 0.8763 |
166 | 61M | 0.8763 |
167 | 2L1 | 0.8761 |
168 | RVE | 0.8758 |
169 | TR7 | 0.8753 |
170 | E9P | 0.8752 |
171 | CK2 | 0.8751 |
172 | 5GT | 0.8749 |
173 | ALE | 0.8746 |
174 | 7QY | 0.8736 |
175 | ITW | 0.8732 |
176 | 7PJ | 0.8727 |
177 | QME | 0.8726 |
178 | 6C4 | 0.8725 |
179 | CTE | 0.8724 |
180 | 7MX | 0.8724 |
181 | RQD | 0.8722 |
182 | C0W | 0.8720 |
183 | QMS | 0.8719 |
184 | 4YZ | 0.8715 |
185 | B86 | 0.8714 |
186 | W23 | 0.8714 |
187 | R9J | 0.8710 |
188 | STT | 0.8705 |
189 | 4AF | 0.8700 |
190 | T03 | 0.8698 |
191 | QUB | 0.8696 |
192 | NFK | 0.8695 |
193 | KCH | 0.8675 |
194 | SYE | 0.8669 |
195 | IOS | 0.8669 |
196 | SZ7 | 0.8661 |
197 | PMM | 0.8657 |
198 | P93 | 0.8656 |
199 | 3DT | 0.8655 |
200 | 9BF | 0.8653 |
201 | RES | 0.8649 |
202 | NFZ | 0.8648 |
203 | 5BT | 0.8644 |
204 | 5VU | 0.8643 |
205 | 3W1 | 0.8642 |
206 | 5R8 | 0.8637 |
207 | 3C5 | 0.8634 |
208 | G6Q | 0.8634 |
209 | ID2 | 0.8632 |
210 | 2GQ | 0.8630 |
211 | LVD | 0.8623 |
212 | PPN | 0.8621 |
213 | B21 | 0.8619 |
214 | NAL | 0.8618 |
215 | F6R | 0.8617 |
216 | MD6 | 0.8612 |
217 | 4AB | 0.8608 |
218 | GF7 | 0.8606 |
219 | TYE | 0.8606 |
220 | 5RP | 0.8603 |
221 | NFM | 0.8599 |
222 | TJM | 0.8594 |
223 | XRS | 0.8592 |
224 | 4I8 | 0.8592 |
225 | R5P | 0.8590 |
226 | HL4 | 0.8586 |
227 | MDR | 0.8581 |
228 | 2KU | 0.8579 |
229 | EXR | 0.8578 |
230 | CHQ | 0.8572 |
231 | BGT | 0.8565 |
232 | YZM | 0.8562 |
233 | 3CX | 0.8560 |
234 | R52 | 0.8558 |
235 | NK5 | 0.8549 |
236 | 4AU | 0.8549 |
237 | 0NX | 0.8524 |
238 | TYU | 0.8517 |
239 | 28B | 0.8513 |