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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 | 4QHP | Ki = 9 nM | 32Q | C20 H27 N2 O4 P | c1ccc(cc1).... |
2 | 4QIR | Ki = 112 nM | 379 | C18 H23 N2 O4 P | c1ccc(cc1).... |
3 | 4QUO | Ki = 12 nM | 3DZ | C20 H27 N2 O4 P | c1ccc(cc1).... |
4 | 4QPE | - | 37E | C8 H19 N2 O3 P | C1CCC(CC1).... |
5 | 4QME | Ki = 302 nM | 37B | C19 H24 N O4 P | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5MFT | Ki = 34 nM | 7MF | C17 H19 Br N O2 | c1ccc(cc1).... |
2 | 3B3B | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
3 | 3B2X | - | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
4 | 4Q4I | ic50 = 0.047 uM | L2O VAL VAL ASP | n/a | n/a |
5 | 5MFR | Ki = 50000 nM | 7MK | C11 H16 N O2 | c1ccc2c(c1.... |
6 | 3B34 | - | PHE | C9 H11 N O2 | c1ccc(cc1).... |
7 | 2ZXG | Ki = 0.00000079 M | S23 | C21 H27 N2 O5 P | C[C@H](N)[.... |
8 | 3B37 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
9 | 2HPT | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
10 | 6G8B | - | 7MF | C17 H19 Br N O2 | c1ccc(cc1).... |
11 | 2DQM | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
12 | 5MFS | Ki = 330 nM | 7ML | C17 H20 N O2 | c1ccc(cc1).... |
13 | 3KED | ic50 = 3.6 mM | DAB | C4 H10 N2 O2 | C(CN)[C@@H.... |
14 | 3QJX | - | SER | C3 H7 N O3 | C([C@@H](C.... |
15 | 4Q4E | ic50 = 0.19 uM | BB2 | C19 H35 N3 O5 | CCCCC[C@H].... |
16 | 3B2P | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
17 | 6EA1 | Ki = 257 nM | J0Y | C17 H11 F7 N2 O3 | c1cc(ccc1c.... |
18 | 4K5N | Ki = 127 uM | 1OU | C8 H13 N4 O3 P | [H]/N=C(/N.... |
19 | 4R5T | Ki = 0.8 uM | R5T | C16 H20 N4 O4 | CC(C)(C)OC.... |
20 | 4ZX6 | Ki = 5.4 uM | 4U6 | C20 H24 N4 O4 | CC(C)(C)C(.... |
21 | 4K5P | Ki = 345 uM | 1OS | C8 H12 N3 O3 P | [H]/N=C(c1.... |
22 | 6EAB | Ki = 431 nM | J2D | C20 H19 F3 N2 O4 | c1cc(ccc1c.... |
23 | 4ZX5 | Ki = 0.64 uM | 4TM | C17 H20 N2 O3 S | CC(C)(C)C(.... |
24 | 3EBH | Ki = 478.2 nM | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
25 | 6SBQ | Ki = 0.04 uM | 7ML | C17 H20 N O2 | c1ccc(cc1).... |
26 | 6EE4 | Ki = 202 nM | J4S | C19 H17 F3 N2 O3 | c1cc(ccc1c.... |
27 | 4ZX4 | Ki = 0.078 uM | 4TL | C19 H19 F3 N2 O3 | CC(C)(C)C(.... |
28 | 4ZW7 | Ki = 19 uM | 4SZ | C19 H19 F3 N2 O4 | CC(C)(C)OC.... |
29 | 4ZW3 | Ki = 0.027 uM | 4S9 | C13 H17 Br N2 O4 | CC(C)(C)OC.... |
30 | 6EED | Ki = 812 nM | J6A | C22 H23 F3 N2 O3 | c1cc(ccc1c.... |
31 | 4K5M | Ki = 193 uM | 1OV | C5 H15 N4 O3 P | [H]/N=C(/N.... |
32 | 4ZW8 | Ki = 1.1 uM | 4T2 | C20 H24 N4 O5 | CC(C)(C)OC.... |
33 | 4ZX3 | Ki = 0.065 uM | 4TK | C13 H17 Br N2 O3 | CC(C)(C)C(.... |
34 | 3Q44 | Ki = 490 nM | D50 | C23 H30 N2 O5 | CC(C)C[C@@.... |
35 | 6EE3 | Ki = 137 nM | J4V | C25 H25 F3 N2 O3 | c1cc(ccc1c.... |
36 | 3Q43 | Ki = 43 nM | D66 | C17 H26 N2 O5 | CC(C)C[C@@.... |
37 | 4ZW5 | Ki = 37 uM | 4SA | C19 H22 N2 O4 | CC(C)(C)OC.... |
38 | 4X2U | - | TOD | C16 H22 N2 O6 | CC(C)C[C@H.... |
39 | 6SBR | Ki = 0.005 uM | L5E | C11 H14 Br2 N O2 | c1cc(c2c(c.... |
40 | 6EE6 | Ki = 216 nM | J4P | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
41 | 3T8V | Ki = 260 nM | BTJ | C54 H67 N7 O11 | C[C@@H](C(.... |
42 | 4K5O | Ki = 104 uM | 1OT | C10 H12 N3 O3 P | c1cnn(c1)c.... |
43 | 4R5X | Ki = 5.5 uM | R5X | C18 H17 N5 O3 | c1cc(cc(c1.... |
44 | 6EA2 | Ki = 285 nM | J1G | C20 H19 F3 N2 O3 | c1cc(ccc1c.... |
45 | 3EBI | Ki = 79 nM | BEY | C19 H24 N O4 P | c1ccc(cc1).... |
46 | 4ZW6 | Ki = 1.9 uM | 4SY | C17 H22 N4 O4 | CC(C)(C)OC.... |
47 | 6EAA | Ki = 818 nM | J1V | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
48 | 4R5V | Ki = 0.7 uM | R5V | C16 H20 N4 O3 | CC(C)(C)C(.... |
49 | 4K5L | Ki = 11 uM | 19N | C6 H17 N4 O3 P | [H]/N=C(N).... |
50 | 4QHP | Ki = 9 nM | 32Q | C20 H27 N2 O4 P | c1ccc(cc1).... |
51 | 4QIR | Ki = 112 nM | 379 | C18 H23 N2 O4 P | c1ccc(cc1).... |
52 | 4QUO | Ki = 12 nM | 3DZ | C20 H27 N2 O4 P | c1ccc(cc1).... |
53 | 4QPE | - | 37E | C8 H19 N2 O3 P | C1CCC(CC1).... |
54 | 4QME | Ki = 302 nM | 37B | C19 H24 N O4 P | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1PS | 0.9562 |
2 | Q06 | 0.9511 |
3 | 3VQ | 0.9297 |
4 | 3CX | 0.9296 |
5 | KLE | 0.9291 |
6 | JMG | 0.9281 |
7 | ODK | 0.9235 |
8 | G14 | 0.9228 |
9 | 6MW | 0.9194 |
10 | PUE | 0.9189 |
11 | N9M | 0.9169 |
12 | API | 0.9154 |
13 | BSA | 0.9150 |
14 | 2D2 | 0.9132 |
15 | ZZA | 0.9120 |
16 | TZP | 0.9117 |
17 | 6C4 | 0.9108 |
18 | D9Z | 0.9085 |
19 | D53 | 0.9084 |
20 | 5PV | 0.9083 |
21 | XI7 | 0.9083 |
22 | Z70 | 0.9082 |
23 | 5TO | 0.9082 |
24 | 11X | 0.9077 |
25 | LPA | 0.9067 |
26 | LPB | 0.9065 |
27 | NK5 | 0.9064 |
28 | 2E6 | 0.9063 |
29 | KYN | 0.9042 |
30 | SB7 | 0.9036 |
31 | 2E4 | 0.9033 |
32 | A51 | 0.9032 |
33 | 6C8 | 0.9025 |
34 | 5DL | 0.9021 |
35 | ARG | 0.9018 |
36 | RGP | 0.9010 |
37 | M4N | 0.9009 |
38 | 2FX | 0.8994 |
39 | EYJ | 0.8992 |
40 | GB5 | 0.8987 |
41 | 0K7 | 0.8985 |
42 | 4AU | 0.8981 |
43 | EQW | 0.8979 |
44 | TB8 | 0.8976 |
45 | F98 | 0.8973 |
46 | OJD | 0.8972 |
47 | 1XS | 0.8968 |
48 | JX7 | 0.8967 |
49 | 5DS | 0.8965 |
50 | KPV | 0.8964 |
51 | PML | 0.8959 |
52 | S0A | 0.8951 |
53 | N9J | 0.8947 |
54 | 6C5 | 0.8947 |
55 | 5H6 | 0.8946 |
56 | VFM | 0.8944 |
57 | 4FF | 0.8943 |
58 | TYR | 0.8942 |
59 | JF5 | 0.8941 |
60 | GGB | 0.8937 |
61 | XRS | 0.8933 |
62 | CIR | 0.8931 |
63 | 6C9 | 0.8930 |
64 | 6FG | 0.8929 |
65 | ILO | 0.8928 |
66 | LZ5 | 0.8927 |
67 | TRP | 0.8926 |
68 | MJW | 0.8925 |
69 | BVS | 0.8919 |
70 | PQT | 0.8914 |
71 | EQA | 0.8913 |
72 | 848 | 0.8911 |
73 | RA7 | 0.8910 |
74 | 2NP | 0.8905 |
75 | FZM | 0.8904 |
76 | D2G | 0.8903 |
77 | 8D6 | 0.8889 |
78 | ERZ | 0.8889 |
79 | AOY | 0.8887 |
80 | M5P | 0.8887 |
81 | FHV | 0.8884 |
82 | SX2 | 0.8883 |
83 | D1G | 0.8881 |
84 | 8CC | 0.8881 |
85 | F18 | 0.8877 |
86 | 26P | 0.8875 |
87 | YIP | 0.8875 |
88 | 9JT | 0.8872 |
89 | L1T | 0.8870 |
90 | X48 | 0.8869 |
91 | XCG | 0.8868 |
92 | 3IP | 0.8864 |
93 | 0NX | 0.8863 |
94 | 6J5 | 0.8861 |
95 | 3GZ | 0.8859 |
96 | 49P | 0.8858 |
97 | 4Z1 | 0.8857 |
98 | GVA | 0.8856 |
99 | 2M7 | 0.8856 |
100 | 4YZ | 0.8854 |
101 | FCD | 0.8845 |
102 | 4BX | 0.8844 |
103 | 4G2 | 0.8843 |
104 | SOJ | 0.8840 |
105 | 0ON | 0.8837 |
106 | AHN | 0.8829 |
107 | NNH | 0.8829 |
108 | EXY | 0.8829 |
109 | PNP | 0.8827 |
110 | 5O6 | 0.8827 |
111 | MLY | 0.8824 |
112 | PBN | 0.8823 |
113 | ZRK | 0.8820 |
114 | IAR | 0.8816 |
115 | DAH | 0.8814 |
116 | E79 | 0.8814 |
117 | TPM | 0.8813 |
118 | 1ER | 0.8809 |
119 | 5WK | 0.8807 |
120 | 2J5 | 0.8807 |
121 | 4FP | 0.8803 |
122 | DHC | 0.8802 |
123 | 5LD | 0.8800 |
124 | S8G | 0.8798 |
125 | AVA | 0.8798 |
126 | U13 | 0.8796 |
127 | C4E | 0.8796 |
128 | 5F8 | 0.8796 |
129 | UN1 | 0.8795 |
130 | MMJ | 0.8793 |
131 | A9B | 0.8791 |
132 | M3L | 0.8791 |
133 | X6W | 0.8790 |
134 | 0SY | 0.8790 |
135 | KLS | 0.8788 |
136 | LFQ | 0.8787 |
137 | 492 | 0.8787 |
138 | 68B | 0.8781 |
139 | TCA | 0.8781 |
140 | 2JJ | 0.8780 |
141 | 7O4 | 0.8779 |
142 | 3D8 | 0.8779 |
143 | J9Y | 0.8777 |
144 | K48 | 0.8777 |
145 | NPI | 0.8776 |
146 | 795 | 0.8771 |
147 | 0UL | 0.8771 |
148 | 9FH | 0.8770 |
149 | Q4G | 0.8767 |
150 | 6HN | 0.8766 |
151 | 5B2 | 0.8760 |
152 | GT4 | 0.8752 |
153 | 5E5 | 0.8752 |
154 | 9J6 | 0.8751 |
155 | 28A | 0.8751 |
156 | DAR | 0.8749 |
157 | PQM | 0.8746 |
158 | L5D | 0.8746 |
159 | QME | 0.8740 |
160 | FER | 0.8740 |
161 | DTR | 0.8738 |
162 | 58X | 0.8736 |
163 | 833 | 0.8736 |
164 | 4TB | 0.8736 |
165 | TJM | 0.8735 |
166 | J4K | 0.8732 |
167 | E9S | 0.8732 |
168 | I2E | 0.8732 |
169 | WA1 | 0.8729 |
170 | 11C | 0.8727 |
171 | YE6 | 0.8726 |
172 | C82 | 0.8725 |
173 | 92G | 0.8724 |
174 | HRG | 0.8723 |
175 | PQS | 0.8722 |
176 | LVD | 0.8717 |
177 | B1J | 0.8715 |
178 | T03 | 0.8714 |
179 | GB4 | 0.8714 |
180 | P93 | 0.8712 |
181 | C53 | 0.8708 |
182 | WVV | 0.8706 |
183 | FCW | 0.8705 |
184 | TEG | 0.8704 |
185 | 5C1 | 0.8703 |
186 | 5FL | 0.8703 |
187 | DMA | 0.8701 |
188 | ALY | 0.8697 |
189 | S0D | 0.8697 |
190 | 0QA | 0.8696 |
191 | 5VU | 0.8692 |
192 | EN1 | 0.8691 |
193 | EGV | 0.8690 |
194 | 6ZX | 0.8690 |
195 | NFZ | 0.8687 |
196 | D4G | 0.8683 |
197 | PA5 | 0.8682 |
198 | GHQ | 0.8682 |
199 | SB9 | 0.8681 |
200 | 6SD | 0.8681 |
201 | UN3 | 0.8680 |
202 | 0DF | 0.8680 |
203 | OLU | 0.8680 |
204 | 1YO | 0.8676 |
205 | MMS | 0.8674 |
206 | 6N4 | 0.8672 |
207 | HAR | 0.8671 |
208 | IQQ | 0.8667 |
209 | HC4 | 0.8667 |
210 | AHL | 0.8666 |
211 | DXG | 0.8664 |
212 | 4MB | 0.8664 |
213 | EYV | 0.8664 |
214 | LR2 | 0.8663 |
215 | GRQ | 0.8661 |
216 | D3G | 0.8659 |
217 | STV | 0.8659 |
218 | NOT | 0.8658 |
219 | MLZ | 0.8654 |
220 | BP7 | 0.8653 |
221 | 3KJ | 0.8651 |
222 | AVX | 0.8649 |
223 | HXY | 0.8649 |
224 | 0XR | 0.8649 |
225 | MF3 | 0.8648 |
226 | Y4L | 0.8647 |
227 | KAP | 0.8645 |
228 | S1D | 0.8644 |
229 | KWB | 0.8642 |
230 | AUV | 0.8640 |
231 | 0LO | 0.8637 |
232 | Q9T | 0.8637 |
233 | KNA | 0.8636 |
234 | SWX | 0.8636 |
235 | 5S9 | 0.8635 |
236 | 6P3 | 0.8631 |
237 | FC2 | 0.8631 |
238 | GLR | 0.8630 |
239 | TI7 | 0.8627 |
240 | PRO GLY | 0.8625 |
241 | BZM | 0.8624 |
242 | XYP XIF | 0.8622 |
243 | LUQ | 0.8621 |
244 | VBC | 0.8619 |
245 | S7D | 0.8617 |
246 | 1HP | 0.8615 |
247 | VM1 | 0.8612 |
248 | ZZU | 0.8611 |
249 | VGS | 0.8611 |
250 | JSX | 0.8611 |
251 | PMV | 0.8610 |
252 | 47V | 0.8610 |
253 | BSU | 0.8609 |
254 | PAU | 0.8606 |
255 | VJJ | 0.8602 |
256 | XIF XYP | 0.8602 |
257 | VFG | 0.8600 |
258 | EUH | 0.8600 |
259 | 0A9 | 0.8593 |
260 | IPO | 0.8592 |
261 | 72D | 0.8590 |
262 | M83 | 0.8582 |
263 | FMQ | 0.8579 |
264 | HLP | 0.8578 |
265 | KMY | 0.8575 |
266 | 7FZ | 0.8572 |
267 | D1Y | 0.8571 |
268 | DER | 0.8567 |
269 | RP3 | 0.8564 |
270 | KW7 | 0.8557 |
271 | 4LV | 0.8556 |
272 | HL4 | 0.8553 |
273 | HGA | 0.8550 |
274 | 6DQ | 0.8549 |
275 | WDW | 0.8544 |
276 | EAT | 0.8542 |
277 | PZX | 0.8541 |
278 | 8YH | 0.8539 |
279 | 7EH | 0.8531 |
280 | IVL | 0.8528 |
281 | S8P | 0.8525 |
282 | CXP | 0.8518 |
283 | JPQ | 0.8515 |
284 | 2FM | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 4qhp.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6Q4R | HJ5 | 15.7471 |
This union binding pocket(no: 2) in the query (biounit: 4qhp.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |