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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 20 families. | |||||
1 | 2ITK | Ki = 20.4 nM | ACE PHE D11 YCP NAL GLN NH2 | n/a | n/a |
2 | 2XPB | ic50 = 2 uM | 4GE | C19 H16 Cl N3 O3 | CN(Cc1cccc.... |
3 | 3KAG | ic50 = 6.6 uM | 4D7 | C16 H15 N3 O4 | Cc1c(cco1).... |
4 | 3KAI | ic50 = 3.9 uM | 4FI | C24 H21 N3 O3 | Cn1c(cc(n1.... |
5 | 2Q5A | Ki = 507 nM | ACE PHE TPO YCP NAL GLN NH2 | n/a | n/a |
6 | 2XPA | ic50 = 4.1 uM | 4G5 | C14 H14 N4 O4 | CN(CC(=O)N.... |
7 | 3WH0 | - | O4B | C12 H24 O6 | C1COCCOCCO.... |
8 | 2XP3 | - | B21 | C12 H10 O4 | COc1ccccc1.... |
9 | 3ODK | ic50 = 720 uM | ODK | C9 H7 N3 O2 | c1ccnc(c1).... |
10 | 3TDB | - | 3TB | C24 H38 N7 O7 P | [H]/N=C(N).... |
11 | 3KAD | ic50 = 7.5 uM | 4C0 | C19 H19 N3 O3 | c1ccc(cc1).... |
12 | 2XP4 | ic50 = 180 uM | G14 | C10 H8 N2 O2 | c1ccc(cc1).... |
13 | 3KAB | ic50 = 630 uM | 4BL | C10 H9 N O2 | Cc1ccc2cc(.... |
14 | 3OOB | Kd = 21.6 uM | KDH | C22 H18 O11 | c1c(cc(c(c.... |
15 | 2XP5 | ic50 = 360 uM | 4FF | C11 H10 N2 O2 | Cc1c(nc([n.... |
16 | 2XP7 | Kd = 1.7 uM | 4F8 | C11 H8 N2 O4 | c1ccc(cc1).... |
17 | 3TCZ | - | R2Z | C16 H29 N6 O7 P | [H]/N=C(N).... |
18 | 3KAH | ic50 = 0.26 uM | 4DH | C21 H19 N5 O3 | Cn1c(cc(n1.... |
19 | 2XP6 | ic50 = 20 uM | 4G2 | C11 H9 Cl N2 O2 | Cc1c(nc([n.... |
20 | 2XP8 | ic50 = 15 uM | 4FY | C15 H15 N3 O4 | c1ccc(cc1).... |
21 | 3KAF | ic50 = 0.83 uM | 4D9 | C19 H15 N3 O3 S | c1ccc2c(c1.... |
22 | 5UY9 | - | GLN ALA SER TPO PRO ARG NIT | n/a | n/a |
23 | 3NTP | ic50 = 12 uM | RZD | C20 H29 N4 O6 P | CC(=O)N[C@.... |
24 | 2XP9 | - | 4G8 | C20 H17 N3 O5 | c1ccc(cc1).... |
25 | 3KCE | - | 4BY | C10 H9 N O2 | Cc1ccc2c(c.... |
26 | 3TC5 | - | 3T5 | C22 H30 F O8 P | C[C@@H]1C[.... |
27 | 1F8A | Kd = 10 uM | TYR SEP PRO THR SEP PRO SER | n/a | n/a |
28 | 3I6C | Ki = 12 uM | GIA | C20 H16 F N O3 | c1ccc2cc(c.... |
29 | 4TYO | Ki = 0.08 uM | 39X | C21 H16 F N3 O3 | c1ccc2cc(c.... |
30 | 3IKG | - | J8Z | C19 H18 N O5 P S | Cc1cccc(c1.... |
31 | 3KAC | ic50 = 740 uM | 4BX | C10 H10 N2 O2 | c1ccc2c(c1.... |
32 | 3JYJ | Ki = 1.8 uM | JZI | C22 H19 N O3 | c1ccc(cc1).... |
33 | 3IKD | - | J9Z | C18 H16 N O5 P S | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 13 families. | |||||
1 | 2ITK | Ki = 20.4 nM | ACE PHE D11 YCP NAL GLN NH2 | n/a | n/a |
2 | 2XPB | ic50 = 2 uM | 4GE | C19 H16 Cl N3 O3 | CN(Cc1cccc.... |
3 | 3KAG | ic50 = 6.6 uM | 4D7 | C16 H15 N3 O4 | Cc1c(cco1).... |
4 | 3KAI | ic50 = 3.9 uM | 4FI | C24 H21 N3 O3 | Cn1c(cc(n1.... |
5 | 2Q5A | Ki = 507 nM | ACE PHE TPO YCP NAL GLN NH2 | n/a | n/a |
6 | 2XPA | ic50 = 4.1 uM | 4G5 | C14 H14 N4 O4 | CN(CC(=O)N.... |
7 | 3WH0 | - | O4B | C12 H24 O6 | C1COCCOCCO.... |
8 | 2XP3 | - | B21 | C12 H10 O4 | COc1ccccc1.... |
9 | 3ODK | ic50 = 720 uM | ODK | C9 H7 N3 O2 | c1ccnc(c1).... |
10 | 3TDB | - | 3TB | C24 H38 N7 O7 P | [H]/N=C(N).... |
11 | 3KAD | ic50 = 7.5 uM | 4C0 | C19 H19 N3 O3 | c1ccc(cc1).... |
12 | 2XP4 | ic50 = 180 uM | G14 | C10 H8 N2 O2 | c1ccc(cc1).... |
13 | 3KAB | ic50 = 630 uM | 4BL | C10 H9 N O2 | Cc1ccc2cc(.... |
14 | 3OOB | Kd = 21.6 uM | KDH | C22 H18 O11 | c1c(cc(c(c.... |
15 | 2XP5 | ic50 = 360 uM | 4FF | C11 H10 N2 O2 | Cc1c(nc([n.... |
16 | 2XP7 | Kd = 1.7 uM | 4F8 | C11 H8 N2 O4 | c1ccc(cc1).... |
17 | 3TCZ | - | R2Z | C16 H29 N6 O7 P | [H]/N=C(N).... |
18 | 3KAH | ic50 = 0.26 uM | 4DH | C21 H19 N5 O3 | Cn1c(cc(n1.... |
19 | 2XP6 | ic50 = 20 uM | 4G2 | C11 H9 Cl N2 O2 | Cc1c(nc([n.... |
20 | 2XP8 | ic50 = 15 uM | 4FY | C15 H15 N3 O4 | c1ccc(cc1).... |
21 | 3KAF | ic50 = 0.83 uM | 4D9 | C19 H15 N3 O3 S | c1ccc2c(c1.... |
22 | 5UY9 | - | GLN ALA SER TPO PRO ARG NIT | n/a | n/a |
23 | 3NTP | ic50 = 12 uM | RZD | C20 H29 N4 O6 P | CC(=O)N[C@.... |
24 | 2XP9 | - | 4G8 | C20 H17 N3 O5 | c1ccc(cc1).... |
25 | 3KCE | - | 4BY | C10 H9 N O2 | Cc1ccc2c(c.... |
26 | 3TC5 | - | 3T5 | C22 H30 F O8 P | C[C@@H]1C[.... |
27 | 1F8A | Kd = 10 uM | TYR SEP PRO THR SEP PRO SER | n/a | n/a |
28 | 3I6C | Ki = 12 uM | GIA | C20 H16 F N O3 | c1ccc2cc(c.... |
29 | 4TYO | Ki = 0.08 uM | 39X | C21 H16 F N3 O3 | c1ccc2cc(c.... |
30 | 3IKG | - | J8Z | C19 H18 N O5 P S | Cc1cccc(c1.... |
31 | 3KAC | ic50 = 740 uM | 4BX | C10 H10 N2 O2 | c1ccc2c(c1.... |
32 | 3JYJ | Ki = 1.8 uM | JZI | C22 H19 N O3 | c1ccc(cc1).... |
33 | 3IKD | - | J9Z | C18 H16 N O5 P S | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DNQ | 0.9346 |
2 | 0SY | 0.9333 |
3 | 5P3 | 0.9316 |
4 | AVX | 0.9279 |
5 | 4G2 | 0.9276 |
6 | IK1 | 0.9251 |
7 | DXK | 0.9243 |
8 | ZRK | 0.9222 |
9 | ZRL | 0.9215 |
10 | UAY | 0.9200 |
11 | 2D2 | 0.9199 |
12 | P4L | 0.9193 |
13 | 8HH | 0.9187 |
14 | 6TJ | 0.9184 |
15 | 78Y | 0.9176 |
16 | 3D8 | 0.9164 |
17 | LJ3 | 0.9161 |
18 | KWB | 0.9160 |
19 | RKV | 0.9145 |
20 | L3L | 0.9132 |
21 | NU3 | 0.9128 |
22 | F40 | 0.9118 |
23 | 9JT | 0.9113 |
24 | 4GU | 0.9109 |
25 | CNI | 0.9101 |
26 | BQ5 | 0.9080 |
27 | CMG | 0.9074 |
28 | TR4 | 0.9060 |
29 | NE2 | 0.9059 |
30 | IDD | 0.9047 |
31 | BZE | 0.9045 |
32 | MUK | 0.9044 |
33 | P9I | 0.9043 |
34 | WL3 | 0.9043 |
35 | BBY | 0.9039 |
36 | CFK | 0.9039 |
37 | MBP | 0.9036 |
38 | V2Z | 0.9033 |
39 | H35 | 0.9033 |
40 | 7L4 | 0.9030 |
41 | MR6 | 0.9030 |
42 | H32 | 0.9029 |
43 | 5F8 | 0.9027 |
44 | A6W | 0.9025 |
45 | M3E | 0.9025 |
46 | AKD | 0.9017 |
47 | X6W | 0.9014 |
48 | 3F4 | 0.8997 |
49 | MR4 | 0.8992 |
50 | 6J3 | 0.8991 |
51 | RGK | 0.8989 |
52 | SZ5 | 0.8983 |
53 | 5E4 | 0.8980 |
54 | B4L | 0.8976 |
55 | 5FL | 0.8976 |
56 | 57D | 0.8974 |
57 | DFL | 0.8971 |
58 | 553 | 0.8966 |
59 | VT3 | 0.8960 |
60 | Q4G | 0.8955 |
61 | AVA | 0.8954 |
62 | 1FL | 0.8950 |
63 | IQQ | 0.8949 |
64 | 25F | 0.8942 |
65 | HA6 | 0.8942 |
66 | 5WT | 0.8941 |
67 | 3Y7 | 0.8933 |
68 | AJD | 0.8933 |
69 | 47V | 0.8933 |
70 | MR5 | 0.8932 |
71 | FER | 0.8932 |
72 | 9CE | 0.8925 |
73 | UN4 | 0.8920 |
74 | 0LO | 0.8919 |
75 | CJZ | 0.8916 |
76 | JSX | 0.8914 |
77 | L5D | 0.8913 |
78 | MMJ | 0.8911 |
79 | NW1 | 0.8910 |
80 | NIY | 0.8909 |
81 | SXX | 0.8907 |
82 | ZHA | 0.8905 |
83 | 2LT | 0.8905 |
84 | S1D | 0.8901 |
85 | B21 | 0.8901 |
86 | WLH | 0.8900 |
87 | VBC | 0.8898 |
88 | BZC | 0.8890 |
89 | BDI | 0.8885 |
90 | MXD | 0.8884 |
91 | B23 | 0.8880 |
92 | 78P | 0.8878 |
93 | M3W | 0.8869 |
94 | TLF | 0.8869 |
95 | FHI | 0.8866 |
96 | LR2 | 0.8864 |
97 | AH9 | 0.8863 |
98 | 5E1 | 0.8863 |
99 | 3WJ | 0.8862 |
100 | PCQ | 0.8860 |
101 | WUB | 0.8859 |
102 | U19 | 0.8858 |
103 | 4L2 | 0.8855 |
104 | AOY | 0.8854 |
105 | 5NN | 0.8848 |
106 | 697 | 0.8844 |
107 | 2GD | 0.8843 |
108 | ID8 | 0.8843 |
109 | U13 | 0.8843 |
110 | B4O | 0.8842 |
111 | 2QV | 0.8841 |
112 | XCG | 0.8837 |
113 | 4GP | 0.8834 |
114 | 5B2 | 0.8834 |
115 | AGI | 0.8832 |
116 | MUR | 0.8830 |
117 | 20D | 0.8827 |
118 | 4K2 | 0.8825 |
119 | NKI | 0.8824 |
120 | 1V1 | 0.8818 |
121 | QME | 0.8817 |
122 | 3GX | 0.8817 |
123 | HFT | 0.8815 |
124 | ZME | 0.8813 |
125 | C4E | 0.8810 |
126 | LU2 | 0.8810 |
127 | 28B | 0.8803 |
128 | NE1 | 0.8801 |
129 | A73 | 0.8798 |
130 | FYR | 0.8797 |
131 | 6NZ | 0.8796 |
132 | FF2 | 0.8793 |
133 | AUV | 0.8793 |
134 | 6ZW | 0.8788 |
135 | QR2 | 0.8785 |
136 | X48 | 0.8783 |
137 | XIF XYP | 0.8782 |
138 | XYP XIF | 0.8782 |
139 | CHQ | 0.8777 |
140 | 3JC | 0.8775 |
141 | AYS | 0.8774 |
142 | 8M5 | 0.8767 |
143 | F2W | 0.8767 |
144 | BP7 | 0.8766 |
145 | 3DE | 0.8765 |
146 | KLV | 0.8765 |
147 | 6DQ | 0.8761 |
148 | 5WM | 0.8761 |
149 | A5H | 0.8759 |
150 | 38E | 0.8758 |
151 | TMG | 0.8753 |
152 | 6QT | 0.8752 |
153 | 833 | 0.8751 |
154 | BGU | 0.8750 |
155 | 8UY | 0.8750 |
156 | OCZ | 0.8745 |
157 | S60 | 0.8745 |
158 | AH3 | 0.8741 |
159 | Q2S | 0.8738 |
160 | 2GQ | 0.8738 |
161 | 5E5 | 0.8734 |
162 | 3Q0 | 0.8733 |
163 | X11 | 0.8730 |
164 | JF8 | 0.8729 |
165 | AH6 | 0.8726 |
166 | CWE | 0.8723 |
167 | B2T | 0.8722 |
168 | 6PB | 0.8721 |
169 | ITE | 0.8720 |
170 | IMK | 0.8719 |
171 | PIQ | 0.8718 |
172 | 1SF | 0.8717 |
173 | FY8 | 0.8716 |
174 | 8G6 | 0.8715 |
175 | ELH | 0.8715 |
176 | 0DF | 0.8714 |
177 | 08C | 0.8713 |
178 | 7EH | 0.8711 |
179 | 91F | 0.8710 |
180 | YEX | 0.8709 |
181 | AJ4 | 0.8709 |
182 | DX7 | 0.8709 |
183 | F18 | 0.8708 |
184 | F5C | 0.8708 |
185 | H2W | 0.8708 |
186 | IKY | 0.8707 |
187 | 9KQ | 0.8707 |
188 | X0W | 0.8705 |
189 | WVV | 0.8704 |
190 | ZAR | 0.8703 |
191 | JTA | 0.8702 |
192 | 28A | 0.8702 |
193 | JO8 | 0.8701 |
194 | G6P | 0.8701 |
195 | 7VF | 0.8698 |
196 | JNW | 0.8698 |
197 | H4B | 0.8694 |
198 | HRM | 0.8694 |
199 | DT7 | 0.8692 |
200 | 7ZL | 0.8692 |
201 | UN3 | 0.8691 |
202 | 6H2 | 0.8687 |
203 | E9L | 0.8687 |
204 | 9F8 | 0.8685 |
205 | 2WU | 0.8685 |
206 | 5F5 | 0.8683 |
207 | H2B | 0.8682 |
208 | W8L | 0.8682 |
209 | 53X | 0.8681 |
210 | MIL | 0.8679 |
211 | M1Z | 0.8678 |
212 | DFV | 0.8678 |
213 | 0K7 | 0.8678 |
214 | XYP XYP | 0.8674 |
215 | YE6 | 0.8672 |
216 | CDJ | 0.8672 |
217 | 1ER | 0.8672 |
218 | U4J | 0.8670 |
219 | HRX | 0.8670 |
220 | ZYQ | 0.8667 |
221 | S98 | 0.8667 |
222 | DDC | 0.8665 |
223 | 1Q4 | 0.8662 |
224 | XYP XDN | 0.8654 |
225 | 0OK | 0.8653 |
226 | 7I2 | 0.8652 |
227 | VM1 | 0.8651 |
228 | FZM | 0.8650 |
229 | 1V3 | 0.8650 |
230 | 5DE | 0.8650 |
231 | 1ZC | 0.8649 |
232 | 15Q | 0.8647 |
233 | XIL | 0.8646 |
234 | ZIP | 0.8645 |
235 | GAT | 0.8644 |
236 | 97K | 0.8642 |
237 | ZEA | 0.8641 |
238 | NAR | 0.8638 |
239 | 2LX | 0.8636 |
240 | 2QU | 0.8634 |
241 | 5V7 | 0.8633 |
242 | GNV | 0.8632 |
243 | IIH | 0.8624 |
244 | 3C5 | 0.8623 |
245 | LJ1 | 0.8620 |
246 | XDN XYP | 0.8616 |
247 | JP2 | 0.8616 |
248 | A63 | 0.8613 |
249 | W29 | 0.8611 |
250 | AB3 | 0.8610 |
251 | 6GP | 0.8610 |
252 | CC6 | 0.8603 |
253 | 6BK | 0.8601 |
254 | 1V4 | 0.8599 |
255 | SSY | 0.8593 |
256 | K48 | 0.8593 |
257 | 26C | 0.8590 |
258 | PP1 | 0.8579 |
259 | 7M5 | 0.8577 |
260 | KMP | 0.8576 |
261 | 92O | 0.8574 |
262 | 7M2 | 0.8574 |
263 | WCU | 0.8572 |
264 | O9Q | 0.8571 |
265 | 1HP | 0.8569 |
266 | 3WL | 0.8567 |
267 | 36I | 0.8559 |
268 | GZ2 | 0.8556 |
269 | 5E2 | 0.8554 |
270 | FBC | 0.8551 |
271 | YE7 | 0.8550 |
272 | BG6 | 0.8545 |
273 | NTF | 0.8540 |
274 | X8E | 0.8539 |
275 | 7A9 | 0.8539 |
276 | 4CN | 0.8538 |
277 | KF5 | 0.8529 |
278 | O9T | 0.8528 |
279 | 2J1 | 0.8520 |