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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 8 families. | |||||
1 | 3L4W | Ki = 1 uM | MIG | C8 H17 N O5 | C1[C@@H]([.... |
2 | 3L4X | Ki = 0.13 uM | NR3 | C12 H24 O12 S2 | C1[C@H]([C.... |
3 | 3L4Y | Ki = 0.1 uM | NR4 | C12 H24 O12 S2 | C1[C@H]([C.... |
4 | 3CTT | Ki = 0.45 uM | 3CU | C8 H15 N O5 | C1[C@@H]([.... |
5 | 3L4V | Ki = 0.19 uM | KTL | C12 H24 O12 S2 | C1[C@H]([C.... |
6 | 2QMJ | Ki = 62 uM | GLC GLC AC1 | n/a | n/a |
7 | 3L4T | Ki = 3.8 uM | BJ1 | C10 H20 O10 S2 | C1[C@H]([C.... |
8 | 3L4U | Ki = 0.03 uM | DSK | C12 H25 O9 S | C1[C@H]([C.... |
9 | 3L4Z | Ki = 0.19 uM | SSD | C9 H18 O9 S2 | C1[C@H]([C.... |
10 | 3LPP | Ki = 0.6 uM | KTL | C12 H24 O12 S2 | C1[C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3W37 | - | GLC GLC AC1 | n/a | n/a |
2 | 3WEO | Ki = 0.888 uM | GLC GLC GLC GLC GLC GLC AC1 | n/a | n/a |
3 | 3WEL | Ki = 2.66 uM | GLC GLC GLC AC1 | n/a | n/a |
4 | 3L4W | Ki = 1 uM | MIG | C8 H17 N O5 | C1[C@@H]([.... |
5 | 3L4X | Ki = 0.13 uM | NR3 | C12 H24 O12 S2 | C1[C@H]([C.... |
6 | 3L4Y | Ki = 0.1 uM | NR4 | C12 H24 O12 S2 | C1[C@H]([C.... |
7 | 3CTT | Ki = 0.45 uM | 3CU | C8 H15 N O5 | C1[C@@H]([.... |
8 | 3L4V | Ki = 0.19 uM | KTL | C12 H24 O12 S2 | C1[C@H]([C.... |
9 | 2QMJ | Ki = 62 uM | GLC GLC AC1 | n/a | n/a |
10 | 3L4T | Ki = 3.8 uM | BJ1 | C10 H20 O10 S2 | C1[C@H]([C.... |
11 | 3L4U | Ki = 0.03 uM | DSK | C12 H25 O9 S | C1[C@H]([C.... |
12 | 3L4Z | Ki = 0.19 uM | SSD | C9 H18 O9 S2 | C1[C@H]([C.... |
13 | 5NN4 | Kd = 11.57 mM | SC2 | C5 H9 N O3 S | CC(=O)N[C@.... |
14 | 5NN8 | - | GLC GLC AC1 | n/a | n/a |
15 | 5NN6 | Ki = 3 uM | MIG | C8 H17 N O5 | C1[C@@H]([.... |
16 | 5NN5 | Ki = 3.4 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
17 | 3LPP | Ki = 0.6 uM | KTL | C12 H24 O12 S2 | C1[C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3CU | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ASC | 0.9357 |
2 | BGC | 0.9345 |
3 | X09 | 0.9337 |
4 | HLZ | 0.9335 |
5 | CTS | 0.9333 |
6 | NGO | 0.9268 |
7 | GLC | 0.9246 |
8 | B62 | 0.9244 |
9 | GYP | 0.9233 |
10 | BDP | 0.9206 |
11 | GLG | 0.9195 |
12 | G3F | 0.9170 |
13 | MT5 | 0.9167 |
14 | DBJ | 0.9148 |
15 | PA1 | 0.9145 |
16 | M1H | 0.9145 |
17 | NGT | 0.9144 |
18 | SYA | 0.9134 |
19 | M0Q | 0.9119 |
20 | LSA | 0.9111 |
21 | FOT | 0.9108 |
22 | GUN | 0.9107 |
23 | MMA | 0.9105 |
24 | XAN | 0.9100 |
25 | 44V | 0.9091 |
26 | TVP | 0.9090 |
27 | GCU | 0.9088 |
28 | 3MG | 0.9081 |
29 | GLF | 0.9078 |
30 | 3IT | 0.9073 |
31 | 5WX | 0.9069 |
32 | KBG | 0.9055 |
33 | 8S0 | 0.9052 |
34 | SWA | 0.9051 |
35 | GCS | 0.9045 |
36 | SOE | 0.9038 |
37 | FRU | 0.9036 |
38 | GAL | 0.9035 |
39 | GTQ | 0.9031 |
40 | MAN | 0.9030 |
41 | AFR | 0.9028 |
42 | 5FN | 0.9020 |
43 | MA3 | 0.9020 |
44 | 5DI | 0.9014 |
45 | LGC | 0.9014 |
46 | GTR | 0.9013 |
47 | 4NG | 0.9013 |
48 | DHK | 0.8998 |
49 | AMG | 0.8994 |
50 | G2F | 0.8986 |
51 | 1U6 | 0.8978 |
52 | R8V | 0.8978 |
53 | BK9 | 0.8961 |
54 | JKZ | 0.8953 |
55 | FX1 | 0.8946 |
56 | L5E | 0.8942 |
57 | FUL | 0.8938 |
58 | X05 | 0.8935 |
59 | KIB | 0.8934 |
60 | 4PW | 0.8933 |
61 | GLT | 0.8931 |
62 | RM1 | 0.8928 |
63 | 2C2 | 0.8927 |
64 | 95Z | 0.8920 |
65 | BMA | 0.8919 |
66 | OA3 | 0.8912 |
67 | GC3 | 0.8904 |
68 | GCV | 0.8902 |
69 | MT0 | 0.8898 |
70 | QIC | 0.8897 |
71 | NOJ | 0.8892 |
72 | SLC | 0.8892 |
73 | ORO | 0.8889 |
74 | ASO | 0.8886 |
75 | 94B | 0.8885 |
76 | GCB | 0.8885 |
77 | 3BU | 0.8884 |
78 | RPQ | 0.8883 |
79 | BCU | 0.8881 |
80 | MVL | 0.8877 |
81 | XXR | 0.8870 |
82 | NGW | 0.8864 |
83 | SVD | 0.8864 |
84 | SHA | 0.8862 |
85 | 2FG | 0.8860 |
86 | HZQ | 0.8859 |
87 | AIN | 0.8858 |
88 | GLY PRO | 0.8856 |
89 | 149 | 0.8853 |
90 | P4B | 0.8851 |
91 | PRZ | 0.8848 |
92 | CN0 | 0.8842 |
93 | ROI | 0.8836 |
94 | NDG | 0.8830 |
95 | GLA | 0.8822 |
96 | 0W8 | 0.8822 |
97 | 329 | 0.8818 |
98 | FA1 | 0.8818 |
99 | KBB | 0.8808 |
100 | 6CS | 0.8806 |
101 | 3DM | 0.8805 |
102 | MFB | 0.8803 |
103 | DBX | 0.8801 |
104 | SJ5 | 0.8799 |
105 | HNQ | 0.8798 |
106 | ZWZ | 0.8798 |
107 | EYK | 0.8797 |
108 | 2PG | 0.8797 |
109 | INS | 0.8792 |
110 | 2M5 | 0.8784 |
111 | 9PY | 0.8776 |
112 | ARB | 0.8774 |
113 | A13 | 0.8770 |
114 | PXL | 0.8769 |
115 | ISE | 0.8767 |
116 | GIV | 0.8765 |
117 | X8Z | 0.8755 |
118 | SF9 | 0.8755 |
119 | EKZ | 0.8754 |
120 | AH8 | 0.8752 |
121 | YIO | 0.8749 |
122 | AZA | 0.8747 |
123 | ENL | 0.8746 |
124 | VC2 | 0.8728 |
125 | 7VJ | 0.8727 |
126 | 2H5 | 0.8726 |
127 | 3OC | 0.8725 |
128 | IGA | 0.8723 |
129 | HJP | 0.8718 |
130 | 7D2 | 0.8715 |
131 | FA6 | 0.8711 |
132 | CBF | 0.8706 |
133 | XSP | 0.8704 |
134 | 6AP | 0.8695 |
135 | 3R9 | 0.8694 |
136 | DQA | 0.8694 |
137 | 2TQ | 0.8693 |
138 | 141 | 0.8691 |
139 | A2F | 0.8689 |
140 | FA3 | 0.8687 |
141 | BDF | 0.8683 |
142 | UEG | 0.8680 |
143 | GT0 | 0.8675 |
144 | GXL | 0.8674 |
145 | GAF | 0.8674 |
146 | 2MN | 0.8670 |
147 | PFL | 0.8667 |
148 | EDR | 0.8665 |
149 | IPM | 0.8663 |
150 | 7A2 | 0.8663 |
151 | ALA PRO | 0.8659 |
152 | 290 | 0.8658 |
153 | G4D | 0.8653 |
154 | ZZ2 | 0.8648 |
155 | I1N | 0.8645 |
156 | T9G | 0.8640 |
157 | FB1 | 0.8637 |
158 | EVA | 0.8634 |
159 | AZG | 0.8626 |
160 | 3C1 | 0.8621 |
161 | FUF | 0.8619 |
162 | AHR | 0.8613 |
163 | XQG | 0.8611 |
164 | 94E | 0.8607 |
165 | XXG | 0.8604 |
166 | 3C2 | 0.8593 |
167 | KIA | 0.8592 |
168 | ZXD | 0.8588 |
169 | GTL | 0.8586 |
170 | X6X | 0.8581 |
171 | LT3 | 0.8578 |
172 | 1GN | 0.8577 |
173 | TAG | 0.8573 |
174 | IFL | 0.8571 |
175 | KDF | 0.8571 |
176 | N7P | 0.8571 |
177 | CFP | 0.8569 |
178 | FBV | 0.8567 |
179 | XH2 | 0.8564 |
180 | LOG | 0.8560 |
181 | ECG | 0.8558 |
182 | RNS | 0.8556 |
183 | HA7 | 0.8545 |
184 | FBT | 0.8534 |
185 | QDK | 0.8509 |