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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
16 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
17 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
18 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
19 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
20 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
21 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 4TVJ | ic50 = 251 nM | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
16 | 4ZZY | Kd = 1.389 uM | D7N | C20 H24 F3 N3 O2 | c1c(cc(c2c.... |
17 | 4PJV | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
18 | 3KCZ | - | 3AB | C7 H8 N2 O | c1cc(cc(c1.... |
19 | 3KJD | Kd = 2.9 nM | 78P | C13 H16 N4 O | C[C@@]1(CC.... |
20 | 4ZZX | Kd = 0.125 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
21 | 3C4H | Kd = 2 uM | DRL | C8 H10 N2 O S | CC1=NC2=C(.... |
22 | 4L7P | - | M95 | C20 H19 N3 O3 | c1ccc(cc1).... |
23 | 4L7L | - | 1VA | C20 H21 N3 O3 | c1ccc(cc1).... |
24 | 4L7N | - | 1VB | C19 H20 N4 O4 S | C[C@@H](c1.... |
25 | 4L7R | - | M00 | C15 H19 N3 O3 | CC[C@@H](C.... |
26 | 4L6Z | - | 1DC | C18 H18 N4 O2 | C[C@@H](c1.... |
27 | 3FHB | Kd > 2 uM | GAB | C7 H7 N O2 | c1cc(cc(c1.... |
28 | 4L70 | - | 1V9 | C20 H21 N3 O2 | CC[C@@H](c.... |
29 | 4GV4 | ic50 = 0.89 uM | MEJ | C19 H19 N3 O2 | C[C@@H](c1.... |
30 | 4GV0 | ic50 = 1.3 uM | 8ME | C18 H18 N4 O2 | C[C@@H](c1.... |
31 | 4L7O | - | 1VD | C22 H21 N5 O2 | C[C@@H](c1.... |
32 | 4GV2 | - | 5ME | C18 H18 N4 O2 | C[C@H](c1c.... |
33 | 6NRG | ic50 = 56 nM | KYY | C17 H12 F N5 O3 | c1cc2c(c(o.... |
34 | 6NRJ | ic50 = 36 nM | KYJ | C26 H20 N4 O4 | c1ccc2c(c1.... |
35 | 6NRI | ic50 = 27 nM | KYM | C25 H21 N5 O4 | c1cc2c(c(c.... |
36 | 6NTU | - | GLC FRU | n/a | n/a |
37 | 6NRF | ic50 = 18 nM | KYV | C28 H25 N5 O4 | c1ccc2c(c1.... |
38 | 6NRH | ic50 = 55 nM | KYP | C25 H23 N5 O4 | c1cc2c(c(o.... |
39 | 6BHV | Kd = 5.87 uM | DQV | C22 H28 N6 O14 P2 | c1cc(cc(c1.... |
40 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
41 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
42 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
43 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
44 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
45 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
46 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3RL | 0.9463 |
2 | MRE | 0.9395 |
3 | 041 | 0.9322 |
4 | H32 | 0.9267 |
5 | 697 | 0.9245 |
6 | OSY | 0.9223 |
7 | NU3 | 0.9213 |
8 | NAR | 0.9203 |
9 | LU2 | 0.9186 |
10 | AV6 | 0.9155 |
11 | AGI | 0.9142 |
12 | 1UR | 0.9141 |
13 | QUE | 0.9127 |
14 | 907 | 0.9114 |
15 | 244 | 0.9113 |
16 | 6JP | 0.9101 |
17 | 1W4 | 0.9099 |
18 | 6X1 | 0.9097 |
19 | 1V8 | 0.9093 |
20 | MHB | 0.9089 |
21 | 1V0 | 0.9085 |
22 | 6BK | 0.9085 |
23 | 334 | 0.9078 |
24 | STL | 0.9077 |
25 | 136 | 0.9076 |
26 | 1UT | 0.9064 |
27 | 5XM | 0.9049 |
28 | BZC | 0.9043 |
29 | A64 | 0.9033 |
30 | F36 | 0.9032 |
31 | 79X | 0.9030 |
32 | 338 | 0.9029 |
33 | SAK | 0.9029 |
34 | RPB | 0.9021 |
35 | KUQ | 0.9015 |
36 | 2ZI | 0.9015 |
37 | KVN | 0.9011 |
38 | PIT | 0.9006 |
39 | 8M5 | 0.9004 |
40 | M16 | 0.9001 |
41 | O9T | 0.8999 |
42 | W2E | 0.8995 |
43 | XAV | 0.8994 |
44 | J8D | 0.8993 |
45 | T5J | 0.8989 |
46 | 7LU | 0.8979 |
47 | 245 | 0.8979 |
48 | 68C | 0.8978 |
49 | 06R | 0.8974 |
50 | HWB | 0.8969 |
51 | 08C | 0.8969 |
52 | KVW | 0.8963 |
53 | F08 | 0.8959 |
54 | KVQ | 0.8953 |
55 | 147 | 0.8951 |
56 | MYC | 0.8951 |
57 | 5LP | 0.8950 |
58 | 29F | 0.8946 |
59 | DMB | 0.8946 |
60 | O9Z | 0.8944 |
61 | C17 | 0.8937 |
62 | 6B5 | 0.8936 |
63 | OUA | 0.8934 |
64 | BUX | 0.8933 |
65 | OUG | 0.8931 |
66 | KMP | 0.8930 |
67 | IMK | 0.8928 |
68 | 97K | 0.8928 |
69 | ECZ | 0.8927 |
70 | 7GK | 0.8925 |
71 | NTI | 0.8925 |
72 | 0HV | 0.8921 |
73 | 73E | 0.8919 |
74 | 5WW | 0.8918 |
75 | 27F | 0.8915 |
76 | DH2 | 0.8913 |
77 | CWE | 0.8912 |
78 | EDZ | 0.8909 |
79 | TNC | 0.8906 |
80 | 8XY | 0.8901 |
81 | DQH | 0.8897 |
82 | TH1 | 0.8896 |
83 | S13 | 0.8896 |
84 | J2W | 0.8895 |
85 | BO1 | 0.8893 |
86 | WG8 | 0.8891 |
87 | 1UZ | 0.8890 |
88 | GN5 | 0.8889 |
89 | 196 | 0.8886 |
90 | IDE | 0.8883 |
91 | MR4 | 0.8882 |
92 | HCC | 0.8880 |
93 | J5Z | 0.8877 |
94 | G2V | 0.8876 |
95 | 3TI | 0.8873 |
96 | 3MI | 0.8871 |
97 | 83D | 0.8871 |
98 | IY5 | 0.8868 |
99 | 28C | 0.8866 |
100 | 6TJ | 0.8866 |
101 | IW3 | 0.8860 |
102 | P34 | 0.8850 |
103 | 36K | 0.8848 |
104 | B1N | 0.8848 |
105 | AX1 | 0.8846 |
106 | OSJ | 0.8846 |
107 | B1W | 0.8843 |
108 | 6MY | 0.8842 |
109 | 6QX | 0.8840 |
110 | C18 | 0.8838 |
111 | KS2 | 0.8838 |
112 | M07 | 0.8836 |
113 | GEN | 0.8833 |
114 | PNW | 0.8833 |
115 | A63 | 0.8832 |
116 | 1AV | 0.8831 |
117 | 31F | 0.8827 |
118 | O53 | 0.8827 |
119 | BGC BGC | 0.8822 |
120 | 123 | 0.8821 |
121 | FYO | 0.8817 |
122 | 4B8 | 0.8817 |
123 | NBZ GLA | 0.8816 |
124 | 7FZ | 0.8814 |
125 | MR5 | 0.8807 |
126 | SGW | 0.8807 |
127 | CT7 | 0.8800 |
128 | F1T | 0.8797 |
129 | 3JC | 0.8790 |
130 | S06 | 0.8785 |
131 | ZAR | 0.8785 |
132 | O9Q | 0.8784 |
133 | BUN | 0.8781 |
134 | A45 | 0.8779 |
135 | HUL | 0.8775 |
136 | LJ2 | 0.8775 |
137 | 0O7 | 0.8772 |
138 | 135 | 0.8772 |
139 | 9C8 | 0.8771 |
140 | T21 | 0.8771 |
141 | IRH | 0.8767 |
142 | BJ4 | 0.8766 |
143 | 91F | 0.8764 |
144 | M08 | 0.8764 |
145 | A26 | 0.8755 |
146 | TVC | 0.8752 |
147 | E9L | 0.8752 |
148 | MBE | 0.8751 |
149 | OSD | 0.8751 |
150 | QC1 | 0.8746 |
151 | DX8 | 0.8746 |
152 | 5EZ | 0.8744 |
153 | OQR | 0.8743 |
154 | AOB | 0.8743 |
155 | 3WL | 0.8742 |
156 | CDJ | 0.8740 |
157 | J45 | 0.8740 |
158 | 1WZ | 0.8740 |
159 | 4KN | 0.8739 |
160 | 1UW | 0.8734 |
161 | 801 | 0.8732 |
162 | IW4 | 0.8731 |
163 | W8L | 0.8731 |
164 | IW5 | 0.8730 |
165 | UAY | 0.8729 |
166 | 4BE | 0.8722 |
167 | 57D | 0.8719 |
168 | 797 | 0.8716 |
169 | KXN | 0.8716 |
170 | H2W | 0.8714 |
171 | 1UA | 0.8714 |
172 | M09 | 0.8714 |
173 | 2UV | 0.8711 |
174 | DZ3 | 0.8711 |
175 | J8G | 0.8711 |
176 | NKI | 0.8708 |
177 | 802 | 0.8707 |
178 | IIH | 0.8703 |
179 | 20D | 0.8702 |
180 | D64 | 0.8694 |
181 | KHP | 0.8693 |
182 | M3W | 0.8693 |
183 | 124 | 0.8692 |
184 | 1VG | 0.8685 |
185 | EEY | 0.8684 |
186 | 397 | 0.8682 |
187 | X8I | 0.8680 |
188 | PNG | 0.8677 |
189 | NAB | 0.8676 |
190 | SDN | 0.8674 |
191 | OAK | 0.8673 |
192 | ZTW | 0.8670 |
193 | F33 | 0.8667 |
194 | 4P9 | 0.8666 |
195 | 5TU | 0.8664 |
196 | 1V1 | 0.8661 |
197 | X8E | 0.8660 |
198 | CJN | 0.8659 |
199 | 3Q0 | 0.8658 |
200 | Q92 | 0.8658 |
201 | PJK | 0.8655 |
202 | 39R | 0.8654 |
203 | A73 | 0.8651 |
204 | LZ7 | 0.8650 |
205 | IZ9 | 0.8649 |
206 | J2Q | 0.8648 |
207 | IDD | 0.8646 |
208 | MRI | 0.8641 |
209 | S1C | 0.8637 |
210 | PNJ | 0.8636 |
211 | OAQ | 0.8631 |
212 | 53X | 0.8630 |
213 | ZZ1 GLA | 0.8630 |
214 | EBB | 0.8627 |
215 | L43 | 0.8626 |
216 | 1NE | 0.8625 |
217 | MYU | 0.8625 |
218 | 6FX | 0.8625 |
219 | MT6 | 0.8622 |
220 | 120 | 0.8618 |
221 | 4L2 | 0.8618 |
222 | 8J4 | 0.8616 |
223 | BMZ | 0.8616 |
224 | 7G2 | 0.8616 |
225 | 9B2 | 0.8613 |
226 | 6VX | 0.8602 |
227 | C3G | 0.8601 |
228 | LJ1 | 0.8598 |
229 | 6H2 | 0.8598 |
230 | 609 | 0.8597 |
231 | D59 | 0.8596 |
232 | Z3A | 0.8589 |
233 | 785 | 0.8587 |
234 | IDZ | 0.8584 |
235 | 3WK | 0.8583 |
236 | VT3 | 0.8582 |
237 | YEX | 0.8579 |
238 | OT4 | 0.8577 |
239 | BVB | 0.8572 |
240 | 55H | 0.8571 |
241 | 0NH | 0.8567 |
242 | RNP | 0.8560 |
243 | G27 | 0.8559 |
244 | 1R5 | 0.8558 |
245 | M94 | 0.8556 |
246 | JKN | 0.8547 |
247 | EES | 0.8529 |
248 | CR4 | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 4pjt.bio2) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
This union binding pocket(no: 2) in the query (biounit: 4pjt.bio3) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
This union binding pocket(no: 3) in the query (biounit: 4pjt.bio4) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
This union binding pocket(no: 4) in the query (biounit: 4pjt.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3ESS | 18N | 5.65217 |
2 | 6W65 | T9D | 10.1083 |