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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 4 families. | |||||
1 | 4PEE | - | 2OX | C13 H16 N4 O2 | C[C@H]1[C@.... |
2 | 2XII | Kd = 63.3 nM | TA9 | C21 H22 N2 O5 | C[C@H]1[C@.... |
3 | 2WVS | - | FUF | C6 H11 F O4 | C[C@H]1[C@.... |
4 | 2WVU | - | JFZ | C12 H15 N O7 | C[C@H]1[C@.... |
5 | 4J28 | Ki = 2 uM | EAT | C12 H15 N3 O2 | C[C@H]1[C@.... |
6 | 6HZY | Ki = 121 uM | GYZ | C13 H16 N2 O6 | C[C@H]1[C@.... |
7 | 4JFT | Ki = 3.5 uM | 1KN | C12 H17 N O3 | C[C@H]1[C@.... |
8 | 4PCS | - | 2M7 | C13 H15 N O2 | C[C@H]1[C@.... |
9 | 4JFU | - | K80 | C12 H17 N O2 | Cc1ccc(cc1.... |
10 | 4JFV | Ki = 0.52 uM | H57 | C18 H26 Fe N2 O2 | CC1C(C(C(N.... |
11 | 2XIB | Kd = 55.1 nM | DFU | C6 H13 N O3 | C[C@H]1[C@.... |
12 | 4PCT | - | H76 | C7 H11 N O2 | C[C@H]1[C@.... |
13 | 4JFS | Ki = 5.4 uM | 16Z | C13 H19 N O3 | C[C@H]1[C@.... |
14 | 4JFW | Ki = 0.46 uM | H58 | C20 H30 Fe N2 O2 | CC1C(C(C(N.... |
15 | 2WVT | Kd = 755 nM | FHN | C7 H16 N O5 | C([C@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4PEE | - | 2OX | C13 H16 N4 O2 | C[C@H]1[C@.... |
2 | 2XII | Kd = 63.3 nM | TA9 | C21 H22 N2 O5 | C[C@H]1[C@.... |
3 | 2WVS | - | FUF | C6 H11 F O4 | C[C@H]1[C@.... |
4 | 2WVU | - | JFZ | C12 H15 N O7 | C[C@H]1[C@.... |
5 | 4J28 | Ki = 2 uM | EAT | C12 H15 N3 O2 | C[C@H]1[C@.... |
6 | 6HZY | Ki = 121 uM | GYZ | C13 H16 N2 O6 | C[C@H]1[C@.... |
7 | 4JFT | Ki = 3.5 uM | 1KN | C12 H17 N O3 | C[C@H]1[C@.... |
8 | 4PCS | - | 2M7 | C13 H15 N O2 | C[C@H]1[C@.... |
9 | 4JFU | - | K80 | C12 H17 N O2 | Cc1ccc(cc1.... |
10 | 4JFV | Ki = 0.52 uM | H57 | C18 H26 Fe N2 O2 | CC1C(C(C(N.... |
11 | 2XIB | Kd = 55.1 nM | DFU | C6 H13 N O3 | C[C@H]1[C@.... |
12 | 4PCT | - | H76 | C7 H11 N O2 | C[C@H]1[C@.... |
13 | 4JFS | Ki = 5.4 uM | 16Z | C13 H19 N O3 | C[C@H]1[C@.... |
14 | 4JFW | Ki = 0.46 uM | H58 | C20 H30 Fe N2 O2 | CC1C(C(C(N.... |
15 | 2WVT | Kd = 755 nM | FHN | C7 H16 N O5 | C([C@H]1[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 16Z | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1KN | 0.9740 |
2 | K80 | 0.9635 |
3 | EAT | 0.9434 |
4 | A6H | 0.9269 |
5 | FMQ | 0.9209 |
6 | 8OE | 0.9201 |
7 | 8OB | 0.9189 |
8 | URI | 0.9187 |
9 | A4N | 0.9181 |
10 | DCN | 0.9158 |
11 | J27 | 0.9128 |
12 | TCC | 0.9104 |
13 | 1CY | 0.9097 |
14 | CP6 | 0.9093 |
15 | 42R | 0.9069 |
16 | XYS XYP | 0.9061 |
17 | A9K | 0.9055 |
18 | A4T | 0.9053 |
19 | JD7 | 0.9043 |
20 | A4Q | 0.9037 |
21 | XYP XYP | 0.9037 |
22 | A7K | 0.9035 |
23 | BP3 | 0.9033 |
24 | 4MP | 0.9030 |
25 | CTN | 0.9030 |
26 | TCL | 0.9030 |
27 | N2Y | 0.9026 |
28 | LOT | 0.9023 |
29 | BPY | 0.9019 |
30 | MZR | 0.9015 |
31 | PIR | 0.9012 |
32 | 1A5 | 0.9012 |
33 | 26C | 0.8999 |
34 | A18 | 0.8995 |
35 | 8MP | 0.8993 |
36 | SNV | 0.8990 |
37 | 5AE | 0.8965 |
38 | 2TU | 0.8964 |
39 | 2B4 | 0.8957 |
40 | 4CF | 0.8949 |
41 | FB4 | 0.8940 |
42 | A7Q | 0.8939 |
43 | FPL | 0.8936 |
44 | L13 | 0.8929 |
45 | EQW | 0.8929 |
46 | AWE | 0.8922 |
47 | GFE | 0.8922 |
48 | HNK | 0.8920 |
49 | J47 | 0.8916 |
50 | XYS XYS | 0.8915 |
51 | MJ5 | 0.8911 |
52 | AYS | 0.8910 |
53 | 5F1 | 0.8907 |
54 | 4EU | 0.8893 |
55 | 4AF | 0.8891 |
56 | S0G | 0.8890 |
57 | A8Q | 0.8888 |
58 | CC5 | 0.8885 |
59 | AFX | 0.8881 |
60 | 54E | 0.8881 |
61 | CBE | 0.8876 |
62 | 7N8 | 0.8872 |
63 | CH8 | 0.8868 |
64 | DCZ | 0.8866 |
65 | ERZ | 0.8864 |
66 | I5A | 0.8863 |
67 | ADN | 0.8862 |
68 | 56N | 0.8862 |
69 | 5AD | 0.8860 |
70 | JPQ | 0.8854 |
71 | 4BF | 0.8854 |
72 | A4B | 0.8854 |
73 | XYP XDN | 0.8849 |
74 | OSP | 0.8840 |
75 | 9FH | 0.8837 |
76 | VBC | 0.8832 |
77 | G14 | 0.8831 |
78 | FT3 | 0.8828 |
79 | P2L | 0.8824 |
80 | KYN | 0.8821 |
81 | WCU | 0.8818 |
82 | FT2 | 0.8815 |
83 | XDL XYP | 0.8812 |
84 | EF2 | 0.8810 |
85 | HNL | 0.8809 |
86 | URD | 0.8808 |
87 | XDN XYP | 0.8807 |
88 | HNH | 0.8805 |
89 | 14N | 0.8802 |
90 | C2M | 0.8798 |
91 | 2M7 | 0.8796 |
92 | 9W5 | 0.8789 |
93 | Y4L | 0.8784 |
94 | CLU | 0.8784 |
95 | XYP XYS | 0.8782 |
96 | RBV | 0.8778 |
97 | FT1 | 0.8776 |
98 | XIF XYP | 0.8774 |
99 | 8UY | 0.8773 |
100 | JFS | 0.8773 |
101 | SV4 | 0.8771 |
102 | TH4 | 0.8770 |
103 | DC5 | 0.8770 |
104 | SOJ | 0.8766 |
105 | XIL | 0.8765 |
106 | LLG | 0.8765 |
107 | HX8 | 0.8761 |
108 | 72E | 0.8760 |
109 | DNB | 0.8756 |
110 | THM | 0.8755 |
111 | 3AD | 0.8752 |
112 | 5CD | 0.8751 |
113 | BY5 | 0.8749 |
114 | S3C | 0.8745 |
115 | 50C | 0.8743 |
116 | 5FD | 0.8740 |
117 | DKX | 0.8740 |
118 | 28A | 0.8737 |
119 | DKZ | 0.8737 |
120 | DUR | 0.8736 |
121 | DTY | 0.8726 |
122 | TYR | 0.8726 |
123 | PFF | 0.8724 |
124 | TB8 | 0.8723 |
125 | S1D | 0.8722 |
126 | RVE | 0.8722 |
127 | H5E | 0.8722 |
128 | 5N5 | 0.8721 |
129 | 9JT | 0.8721 |
130 | 4WF | 0.8720 |
131 | CBQ | 0.8716 |
132 | PQS | 0.8713 |
133 | FCW | 0.8710 |
134 | HL4 | 0.8709 |
135 | TH1 | 0.8704 |
136 | 78U | 0.8704 |
137 | 2P3 | 0.8704 |
138 | TRP | 0.8701 |
139 | TOH | 0.8700 |
140 | IMH | 0.8698 |
141 | CJB | 0.8696 |
142 | 43F | 0.8695 |
143 | BP6 | 0.8692 |
144 | XYP XIF | 0.8689 |
145 | 79W | 0.8688 |
146 | C53 | 0.8682 |
147 | AX8 | 0.8679 |
148 | AD3 | 0.8677 |
149 | ARJ | 0.8675 |
150 | NOC | 0.8675 |
151 | NOS | 0.8675 |
152 | 0X2 | 0.8675 |
153 | 977 | 0.8674 |
154 | LZJ | 0.8674 |
155 | A | 0.8673 |
156 | GEO | 0.8672 |
157 | 1DA | 0.8671 |
158 | AUT | 0.8670 |
159 | 1FL | 0.8670 |
160 | 6P3 | 0.8668 |
161 | FMB | 0.8668 |
162 | 3D1 | 0.8666 |
163 | AUV | 0.8665 |
164 | TBN | 0.8662 |
165 | SQP | 0.8662 |
166 | MMS | 0.8662 |
167 | CUT | 0.8662 |
168 | MEX | 0.8661 |
169 | LVP | 0.8660 |
170 | 0GA | 0.8656 |
171 | IMK | 0.8653 |
172 | TI7 | 0.8653 |
173 | J84 | 0.8651 |
174 | 458 | 0.8647 |
175 | RUG | 0.8647 |
176 | 6J5 | 0.8646 |
177 | QME | 0.8646 |
178 | 2JX | 0.8644 |
179 | LR2 | 0.8639 |
180 | JSX | 0.8639 |
181 | 5F4 | 0.8638 |
182 | Q2S | 0.8638 |
183 | KF5 | 0.8637 |
184 | 2LT | 0.8628 |
185 | Y3J | 0.8625 |
186 | EAJ | 0.8625 |
187 | PW1 | 0.8621 |
188 | 6HO | 0.8620 |
189 | NAL | 0.8619 |
190 | S0F | 0.8618 |
191 | 0OY | 0.8617 |
192 | NIY | 0.8615 |
193 | 4K2 | 0.8610 |
194 | CK2 | 0.8610 |
195 | N8Z | 0.8609 |
196 | L15 | 0.8607 |
197 | AKD | 0.8606 |
198 | 4Z9 | 0.8604 |
199 | HPR | 0.8604 |
200 | PRH | 0.8604 |
201 | FMC | 0.8597 |
202 | Z15 | 0.8593 |
203 | 7ZO | 0.8593 |
204 | U4J | 0.8591 |
205 | GJG | 0.8590 |
206 | 0OK | 0.8590 |
207 | BG8 | 0.8585 |
208 | GI2 | 0.8583 |
209 | Z57 | 0.8582 |
210 | MTA | 0.8581 |
211 | 5CK | 0.8578 |
212 | B2Y | 0.8569 |
213 | XK0 | 0.8559 |
214 | Z70 | 0.8558 |
215 | WVV | 0.8557 |
216 | HRX | 0.8557 |
217 | L5D | 0.8555 |
218 | GJB | 0.8547 |
219 | BIE | 0.8547 |
220 | 51Y | 0.8546 |
221 | GAL PHB | 0.8545 |
222 | 6WR | 0.8539 |
223 | BG6 | 0.8535 |
224 | MUR | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 2xib.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2xib.bio4) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2xib.bio3) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2xib.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |