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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 41 families. | |||||
1 | 1X8I | - | BMH | C15 H22 N4 O5 S | C[C@@H]1[C.... |
2 | 3IOF | Ki = 6 uM | IFS | C13 H21 O3 P S | CC(C)OP(=O.... |
3 | 3IOG | Ki = 3 uM | SDF | C7 H7 Cl2 O3 P S | c1cc(c(cc1.... |
4 | 2GKL | Ki = 4.5 uM | PD2 | C7 H5 N O4 | c1cnc(cc1C.... |
5 | 2QDS | Ki = 72 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
6 | 5EW0 | Ki = 0.26 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 1X8I | - | BMH | C15 H22 N4 O5 S | C[C@@H]1[C.... |
2 | 3IOF | Ki = 6 uM | IFS | C13 H21 O3 P S | CC(C)OP(=O.... |
3 | 3IOG | Ki = 3 uM | SDF | C7 H7 Cl2 O3 P S | c1cc(c(cc1.... |
4 | 2GKL | Ki = 4.5 uM | PD2 | C7 H5 N O4 | c1cnc(cc1C.... |
5 | 2QDS | Ki = 72 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
6 | 5EW0 | Ki = 0.26 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SDF | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GZQ | 0.9390 |
2 | GWM | 0.9280 |
3 | CFA | 0.9254 |
4 | 61M | 0.9236 |
5 | 54Z | 0.9172 |
6 | FTV | 0.9166 |
7 | HHT | 0.9157 |
8 | S24 | 0.9153 |
9 | UA5 | 0.9116 |
10 | MP5 | 0.9087 |
11 | 88L | 0.9075 |
12 | 4HP | 0.9050 |
13 | 86L | 0.9039 |
14 | 8U3 | 0.9034 |
15 | 46P | 0.9003 |
16 | YF3 | 0.8998 |
17 | HHH | 0.8987 |
18 | IOS | 0.8979 |
19 | MS9 | 0.8977 |
20 | 23J | 0.8967 |
21 | B85 | 0.8950 |
22 | 2FY | 0.8948 |
23 | Q03 | 0.8945 |
24 | F52 | 0.8941 |
25 | AEG | 0.8939 |
26 | NFM | 0.8939 |
27 | PMF | 0.8934 |
28 | SBK | 0.8931 |
29 | DHY | 0.8931 |
30 | PPT | 0.8929 |
31 | HPS | 0.8928 |
32 | TYE | 0.8928 |
33 | 0QW | 0.8922 |
34 | AHC | 0.8916 |
35 | PNP | 0.8913 |
36 | R9S | 0.8913 |
37 | SEP | 0.8903 |
38 | 4NP | 0.8903 |
39 | FF3 | 0.8903 |
40 | SYC | 0.8902 |
41 | 1FD | 0.8899 |
42 | HWD | 0.8889 |
43 | OTR | 0.8883 |
44 | 6DP | 0.8881 |
45 | GRO | 0.8879 |
46 | DDU | 0.8875 |
47 | IAC | 0.8874 |
48 | TSR | 0.8871 |
49 | 4NS | 0.8867 |
50 | SQV | 0.8865 |
51 | STT | 0.8864 |
52 | TYL | 0.8861 |
53 | DTR | 0.8861 |
54 | 9BF | 0.8856 |
55 | ZON | 0.8851 |
56 | 9R5 | 0.8849 |
57 | NVU | 0.8847 |
58 | 3C4 | 0.8846 |
59 | MQB | 0.8843 |
60 | HNK | 0.8841 |
61 | HPP | 0.8841 |
62 | ODO | 0.8838 |
63 | K82 | 0.8837 |
64 | PYU | 0.8837 |
65 | ISA | 0.8836 |
66 | 0A1 | 0.8830 |
67 | OHP | 0.8824 |
68 | TYR | 0.8822 |
69 | DTY | 0.8822 |
70 | HDH | 0.8820 |
71 | 657 | 0.8815 |
72 | QMP | 0.8815 |
73 | ABF | 0.8805 |
74 | ENO | 0.8804 |
75 | MTL | 0.8800 |
76 | DJN | 0.8800 |
77 | N2Z | 0.8794 |
78 | SYG | 0.8792 |
79 | IOP | 0.8784 |
80 | JRB | 0.8782 |
81 | 1WC | 0.8779 |
82 | 8OZ | 0.8773 |
83 | 5DS | 0.8772 |
84 | YPN | 0.8771 |
85 | 49O | 0.8771 |
86 | FHC | 0.8770 |
87 | CLU | 0.8768 |
88 | OMD | 0.8765 |
89 | 2UB | 0.8765 |
90 | 97T | 0.8763 |
91 | CS2 | 0.8762 |
92 | TRP | 0.8762 |
93 | 9RH | 0.8758 |
94 | LNR | 0.8756 |
95 | 57O | 0.8755 |
96 | 78U | 0.8754 |
97 | FWD | 0.8750 |
98 | 2O8 | 0.8744 |
99 | 54E | 0.8740 |
100 | Y4L | 0.8738 |
101 | PRZ | 0.8736 |
102 | EPR | 0.8732 |
103 | 4OG | 0.8723 |
104 | SV4 | 0.8720 |
105 | 173 | 0.8720 |
106 | M3Q | 0.8719 |
107 | GCO | 0.8716 |
108 | OQC | 0.8715 |
109 | HNL | 0.8714 |
110 | A9K | 0.8713 |
111 | F69 | 0.8708 |
112 | SOR | 0.8706 |
113 | MNP | 0.8705 |
114 | PF1 | 0.8705 |
115 | 5OO | 0.8703 |
116 | KDG | 0.8702 |
117 | 0JD | 0.8699 |
118 | HC4 | 0.8698 |
119 | YI6 | 0.8697 |
120 | A4N | 0.8697 |
121 | NAG | 0.8694 |
122 | CWD | 0.8693 |
123 | IWD | 0.8689 |
124 | SMN | 0.8689 |
125 | DC5 | 0.8686 |
126 | DHC | 0.8682 |
127 | YOF | 0.8680 |
128 | IPB | 0.8677 |
129 | PH3 | 0.8673 |
130 | NGA | 0.8673 |
131 | FUD | 0.8672 |
132 | 2LB | 0.8671 |
133 | 2F6 | 0.8670 |
134 | A2G | 0.8669 |
135 | BWD | 0.8667 |
136 | RMN | 0.8661 |
137 | 2CL | 0.8660 |
138 | ICB | 0.8659 |
139 | APS | 0.8659 |
140 | M5E | 0.8657 |
141 | LIP | 0.8655 |
142 | LTT | 0.8654 |
143 | DUR | 0.8650 |
144 | APG | 0.8646 |
145 | FK8 | 0.8644 |
146 | CH8 | 0.8644 |
147 | DCZ | 0.8643 |
148 | E4P | 0.8640 |
149 | HQ9 | 0.8637 |
150 | 92P | 0.8636 |
151 | PLP | 0.8635 |
152 | ASC | 0.8631 |
153 | SYE | 0.8631 |
154 | HFA | 0.8627 |
155 | NDG | 0.8626 |
156 | NCT | 0.8626 |
157 | AAN | 0.8625 |
158 | EYV | 0.8618 |
159 | RQD | 0.8617 |
160 | CXP | 0.8617 |
161 | SQ7 | 0.8617 |
162 | T9G | 0.8616 |
163 | M74 | 0.8610 |
164 | 0LH | 0.8610 |
165 | PHE | 0.8609 |
166 | 4SX | 0.8607 |
167 | HXY | 0.8604 |
168 | NLA | 0.8602 |
169 | 3HP | 0.8602 |
170 | B2Y | 0.8601 |
171 | 15N | 0.8601 |
172 | 2K8 | 0.8592 |
173 | LDP | 0.8592 |
174 | PAC | 0.8591 |
175 | HA7 | 0.8589 |
176 | TSS | 0.8587 |
177 | E0O | 0.8586 |
178 | L13 | 0.8586 |
179 | MPK | 0.8584 |
180 | 2TU | 0.8578 |
181 | MQG | 0.8578 |
182 | 3MF | 0.8577 |
183 | NOK | 0.8569 |
184 | 56D | 0.8565 |
185 | 2AL | 0.8556 |
186 | I4B | 0.8553 |
187 | AEF | 0.8548 |
188 | MJ5 | 0.8544 |
189 | RBJ | 0.8542 |
190 | 2C2 | 0.8541 |
191 | HJH | 0.8540 |
192 | GRX | 0.8535 |
193 | FPL | 0.8532 |
194 | 6ZX | 0.8526 |
195 | HSX | 0.8525 |
196 | GDL | 0.8524 |
197 | BSX | 0.8523 |
198 | AU8 | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 3iog.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |