- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | 4JWK | Kd = 5.3 nM | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
2 | 4JX9 | Kd = 1.4 nM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
3 | 4QD3 | Kd = 0.000000064 M | 5AE | C8 H12 N4 O5 | C1=NC(=NC(.... |
4 | 4QBK | Kd = 0.000000064 M | 3NZ | C20 H25 N7 O5 | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4JWK | Kd = 5.3 nM | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
2 | 4JX9 | Kd = 1.4 nM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
3 | 4QD3 | Kd = 0.000000064 M | 5AE | C8 H12 N4 O5 | C1=NC(=NC(.... |
4 | 4QBK | Kd = 0.000000064 M | 3NZ | C20 H25 N7 O5 | COc1ccc(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5AE | 1 | 1 |
2 | CTN | 0.542373 | 0.935484 |
3 | AR3 | 0.542373 | 0.935484 |
4 | F01 | 0.52459 | 0.865672 |
5 | CTD | 0.483333 | 0.854839 |
6 | ZEB | 0.419355 | 0.887097 |
7 | URD | 0.412698 | 0.777778 |
8 | URI | 0.412698 | 0.887097 |
9 | DHZ | 0.40625 | 0.887097 |
10 | DKZ | 0.405797 | 0.80597 |
11 | 5HM | 0.405405 | 0.794521 |
12 | 5UD | 0.4 | 0.820895 |
13 | 2TU | 0.4 | 0.818182 |
14 | BRD | 0.4 | 0.83871 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DCZ | 0.9766 |
2 | DUR | 0.9705 |
3 | GEO | 0.9572 |
4 | TYU | 0.9563 |
5 | I5A | 0.9543 |
6 | THM | 0.9530 |
7 | UUA | 0.9522 |
8 | THU | 0.9493 |
9 | 0DN | 0.9474 |
10 | MCY | 0.9426 |
11 | DDU | 0.9419 |
12 | 5BT | 0.9393 |
13 | ID2 | 0.9382 |
14 | K80 | 0.9379 |
15 | ADN | 0.9297 |
16 | B86 | 0.9283 |
17 | PIR | 0.9267 |
18 | SCT | 0.9267 |
19 | 1KN | 0.9213 |
20 | NOS | 0.9187 |
21 | A | 0.9184 |
22 | HPR | 0.9171 |
23 | PRH | 0.9171 |
24 | 1DA | 0.9166 |
25 | 3D1 | 0.9165 |
26 | 5MD | 0.9159 |
27 | TBN | 0.9157 |
28 | TMC | 0.9154 |
29 | B2T | 0.9138 |
30 | Z15 | 0.9136 |
31 | 9DI | 0.9131 |
32 | 5N5 | 0.9125 |
33 | FMB | 0.9124 |
34 | AHU | 0.9123 |
35 | PUR | 0.9117 |
36 | W29 | 0.9115 |
37 | UA2 | 0.9109 |
38 | X11 | 0.9096 |
39 | FC2 | 0.9075 |
40 | PQT | 0.9072 |
41 | IMH | 0.9063 |
42 | 5AD | 0.9059 |
43 | 5CD | 0.9053 |
44 | TIZ | 0.9052 |
45 | RBV | 0.9048 |
46 | 2GD | 0.9042 |
47 | FMC | 0.9031 |
48 | 6MD | 0.9031 |
49 | 3DT | 0.9028 |
50 | HNL | 0.9021 |
51 | XYA | 0.9013 |
52 | 5ID | 0.9000 |
53 | MZR | 0.8984 |
54 | 5NB | 0.8976 |
55 | WVV | 0.8967 |
56 | 16Z | 0.8965 |
57 | BP3 | 0.8961 |
58 | WOE | 0.8955 |
59 | DNB | 0.8947 |
60 | 5JT | 0.8946 |
61 | M02 | 0.8945 |
62 | EKH | 0.8936 |
63 | EAT | 0.8935 |
64 | FTU | 0.8935 |
65 | TI7 | 0.8932 |
66 | U | 0.8930 |
67 | 6HX | 0.8930 |
68 | 1FL | 0.8929 |
69 | OA1 | 0.8929 |
70 | 5FD | 0.8920 |
71 | 6J3 | 0.8919 |
72 | B4O | 0.8914 |
73 | MTA | 0.8911 |
74 | MTP | 0.8903 |
75 | XDK | 0.8899 |
76 | IQQ | 0.8898 |
77 | 3BH | 0.8896 |
78 | DBM | 0.8893 |
79 | A4D | 0.8892 |
80 | L13 | 0.8891 |
81 | AD3 | 0.8889 |
82 | TIA | 0.8883 |
83 | TRP | 0.8882 |
84 | X6P | 0.8881 |
85 | BPY | 0.8880 |
86 | RFZ | 0.8873 |
87 | M3E | 0.8870 |
88 | R9G | 0.8869 |
89 | FHI | 0.8868 |
90 | A6H | 0.8865 |
91 | FCD | 0.8864 |
92 | AUV | 0.8860 |
93 | PF1 | 0.8859 |
94 | ZIQ | 0.8850 |
95 | ZYV | 0.8848 |
96 | GMP | 0.8844 |
97 | L5D | 0.8844 |
98 | FTV | 0.8844 |
99 | 9W5 | 0.8842 |
100 | EAJ | 0.8840 |
101 | H70 | 0.8829 |
102 | HNH | 0.8829 |
103 | KTJ | 0.8825 |
104 | MUK | 0.8825 |
105 | EXR | 0.8824 |
106 | 3IL | 0.8820 |
107 | 7ZL | 0.8819 |
108 | U5P | 0.8814 |
109 | ENG | 0.8813 |
110 | XYP XIF | 0.8813 |
111 | XIF XYP | 0.8813 |
112 | 1ER | 0.8806 |
113 | 50C | 0.8802 |
114 | WL3 | 0.8799 |
115 | HNK | 0.8799 |
116 | 7D7 | 0.8797 |
117 | HVE | 0.8797 |
118 | NNR | 0.8791 |
119 | 43F | 0.8789 |
120 | 977 | 0.8789 |
121 | JO8 | 0.8783 |
122 | 38B | 0.8781 |
123 | QBS | 0.8781 |
124 | TT4 | 0.8780 |
125 | 1A7 | 0.8773 |
126 | ID8 | 0.8772 |
127 | P2L | 0.8771 |
128 | AZZ | 0.8770 |
129 | F63 | 0.8769 |
130 | 0FR | 0.8768 |
131 | 6J9 | 0.8768 |
132 | 9FH | 0.8765 |
133 | KYN | 0.8765 |
134 | S1D | 0.8759 |
135 | 4OG | 0.8755 |
136 | N2Y | 0.8753 |
137 | X48 | 0.8750 |
138 | OX2 | 0.8749 |
139 | B21 | 0.8747 |
140 | GNG | 0.8742 |
141 | 9UL | 0.8740 |
142 | PBQ | 0.8739 |
143 | 1Z6 | 0.8735 |
144 | F16 | 0.8733 |
145 | 5F8 | 0.8725 |
146 | 78U | 0.8723 |
147 | DTR | 0.8723 |
148 | 61M | 0.8719 |
149 | FB4 | 0.8713 |
150 | JF8 | 0.8710 |
151 | BP6 | 0.8706 |
152 | GNW | 0.8700 |
153 | QTS | 0.8699 |
154 | VBC | 0.8693 |
155 | DIF | 0.8691 |
156 | 27M | 0.8690 |
157 | NCT | 0.8686 |
158 | TCL | 0.8685 |
159 | FMQ | 0.8684 |
160 | AVA | 0.8683 |
161 | C0H | 0.8683 |
162 | MIL | 0.8683 |
163 | CC5 | 0.8680 |
164 | XDL XYP | 0.8680 |
165 | IMK | 0.8680 |
166 | A4T | 0.8679 |
167 | CL9 | 0.8677 |
168 | C5P | 0.8677 |
169 | U2Z | 0.8672 |
170 | 26C | 0.8667 |
171 | BQ5 | 0.8667 |
172 | I2E | 0.8664 |
173 | 8OE | 0.8663 |
174 | 8UY | 0.8658 |
175 | S2T | 0.8657 |
176 | QUS | 0.8656 |
177 | DTY | 0.8655 |
178 | 8CB | 0.8650 |
179 | 4I8 | 0.8649 |
180 | MXD | 0.8643 |
181 | RUG | 0.8641 |
182 | 89J | 0.8639 |
183 | 2JM | 0.8634 |
184 | B2Y | 0.8634 |
185 | EZN | 0.8633 |
186 | 5E4 | 0.8630 |
187 | 54E | 0.8627 |
188 | RQD | 0.8627 |
189 | Y4L | 0.8627 |
190 | MPK | 0.8627 |
191 | YOF | 0.8626 |
192 | JRB | 0.8625 |
193 | A4G | 0.8623 |
194 | JSX | 0.8622 |
195 | 79W | 0.8621 |
196 | 92G | 0.8620 |
197 | 9FG | 0.8620 |
198 | Q4G | 0.8620 |
199 | 3Y7 | 0.8618 |
200 | 5P3 | 0.8617 |
201 | KP2 | 0.8616 |
202 | EXL | 0.8615 |
203 | ISC | 0.8614 |
204 | DTE | 0.8614 |
205 | BRH | 0.8612 |
206 | LTN | 0.8611 |
207 | HWD | 0.8609 |
208 | 3B4 | 0.8608 |
209 | CH9 | 0.8606 |
210 | CFE | 0.8601 |
211 | HVJ | 0.8601 |
212 | VXX | 0.8600 |
213 | 26A | 0.8599 |
214 | FWD | 0.8598 |
215 | PFF | 0.8596 |
216 | 4EU | 0.8592 |
217 | TQL | 0.8587 |
218 | A4V | 0.8585 |
219 | FT2 | 0.8584 |
220 | U4J | 0.8579 |
221 | C2M | 0.8577 |
222 | 22L | 0.8576 |
223 | YF3 | 0.8574 |
224 | IYR | 0.8573 |
225 | B23 | 0.8570 |
226 | 5I5 | 0.8567 |
227 | CUT | 0.8565 |
228 | DAH | 0.8563 |
229 | AWE | 0.8559 |
230 | G14 | 0.8547 |
231 | 51Y | 0.8541 |
232 | 2J5 | 0.8541 |
233 | FC3 | 0.8533 |
234 | FUZ | 0.8526 |
235 | HO4 | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 4qbk.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |