- 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 197 families. | |||||
1 | 1Q3E | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
2 | 5KHH | Kd = 49.32 uM | 6SW | C10 H11 N4 O7 P | c1nc2c(n1[.... |
3 | 1Q43 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
4 | 2Q0A | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
5 | 3ETQ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
6 | 3BPZ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
7 | 1Q5O | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
8 | 5KHI | Kd = 0.17 uM | 6SX | C10 H11 N4 O6 P | c1c2c(ncn1.... |
9 | 5KHK | Kd = 0.41 uM | 6SZ | C10 H12 N5 O6 P | c1c2c(nc(n.... |
10 | 5KHG | Kd = 20.23 uM | CC7 | C9 H12 N3 O7 P | C1[C@@H]2[.... |
11 | 3U10 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
12 | 5KHJ | Kd = 1.33 uM | 6SY | C9 H11 N2 O8 P | C1[C@@H]2[.... |
13 | 4NVP | Kd = 27 nM | 7CH | C11 H13 N4 O6 P | c1cn(c2c1c.... |
14 | 3U11 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
15 | 3OTF | Kd = 0.83 uM | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
16 | 2PTM | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 1Q3E | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
2 | 5KHH | Kd = 49.32 uM | 6SW | C10 H11 N4 O7 P | c1nc2c(n1[.... |
3 | 1Q43 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
4 | 2Q0A | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
5 | 3ETQ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
6 | 3BPZ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
7 | 1Q5O | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
8 | 5KHI | Kd = 0.17 uM | 6SX | C10 H11 N4 O6 P | c1c2c(ncn1.... |
9 | 5KHK | Kd = 0.41 uM | 6SZ | C10 H12 N5 O6 P | c1c2c(nc(n.... |
10 | 5KHG | Kd = 20.23 uM | CC7 | C9 H12 N3 O7 P | C1[C@@H]2[.... |
11 | 3U10 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
12 | 5KHJ | Kd = 1.33 uM | 6SY | C9 H11 N2 O8 P | C1[C@@H]2[.... |
13 | 4NVP | Kd = 27 nM | 7CH | C11 H13 N4 O6 P | c1cn(c2c1c.... |
14 | 3U11 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
15 | 3OTF | Kd = 0.83 uM | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
16 | 2PTM | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2BA | 1 | 0.984848 |
2 | CMP | 1 | 1 |
3 | RP1 | 0.757143 | 0.928571 |
4 | SP1 | 0.757143 | 0.928571 |
5 | 1YD | 0.727273 | 0.902778 |
6 | 4BW | 0.727273 | 0.902778 |
7 | 1SY | 0.653061 | 0.902778 |
8 | 1OR | 0.635294 | 0.807692 |
9 | 4UR | 0.626263 | 0.902778 |
10 | 7CH | 0.580247 | 0.984615 |
11 | 6SX | 0.573171 | 0.953846 |
12 | 6SZ | 0.559524 | 0.984848 |
13 | N6S | 0.535354 | 0.914286 |
14 | N6R | 0.535354 | 0.914286 |
15 | PCG | 0.534091 | 0.888889 |
16 | 35G | 0.534091 | 0.888889 |
17 | C2E | 0.534091 | 0.902778 |
18 | 1YC | 0.53 | 0.875 |
19 | AF2 AF2 AF2 AF2 AF2 AF2 | 0.517647 | 0.84507 |
20 | Y3J | 0.506667 | 0.753623 |
21 | RAB | 0.5 | 0.826087 |
22 | 5CD | 0.5 | 0.811594 |
23 | ADN | 0.5 | 0.826087 |
24 | ACK | 0.5 | 0.897059 |
25 | XYA | 0.5 | 0.826087 |
26 | 6SW | 0.494382 | 0.9 |
27 | 5AD | 0.493151 | 0.776119 |
28 | 5N5 | 0.486842 | 0.8 |
29 | 75G | 0.483146 | 0.890411 |
30 | A4D | 0.480519 | 0.8 |
31 | NWW | 0.480519 | 0.764706 |
32 | M2T | 0.475 | 0.736842 |
33 | MTA | 0.469136 | 0.777778 |
34 | CC5 | 0.466667 | 0.850746 |
35 | EP4 | 0.4625 | 0.756757 |
36 | DTA | 0.45679 | 0.816901 |
37 | QQX | 0.452381 | 0.835616 |
38 | A | 0.447059 | 0.927536 |
39 | QQY | 0.447059 | 0.847222 |
40 | AMP | 0.447059 | 0.927536 |
41 | LMS | 0.447059 | 0.7875 |
42 | AMP MG | 0.44186 | 0.913043 |
43 | 3DH | 0.440476 | 0.777778 |
44 | NWQ | 0.440476 | 0.742857 |
45 | N5O | 0.436782 | 0.743243 |
46 | 3AM | 0.435294 | 0.913043 |
47 | KT2 | 0.434783 | 0.902778 |
48 | 45A | 0.431818 | 0.901408 |
49 | A2D | 0.431818 | 0.928571 |
50 | J7C | 0.431818 | 0.75 |
51 | ABM | 0.431818 | 0.901408 |
52 | ZAS | 0.430233 | 0.77027 |
53 | 7D7 | 0.428571 | 0.771429 |
54 | S4M | 0.426966 | 0.666667 |
55 | SRA | 0.425287 | 0.876712 |
56 | 6RE | 0.425287 | 0.74026 |
57 | 3AD | 0.425 | 0.838235 |
58 | 2AM | 0.423529 | 0.9 |
59 | A12 | 0.422222 | 0.864865 |
60 | AP2 | 0.422222 | 0.864865 |
61 | MAO | 0.422222 | 0.740741 |
62 | BA3 | 0.422222 | 0.928571 |
63 | DSH | 0.420455 | 0.727273 |
64 | A3G | 0.420455 | 0.780822 |
65 | NEC | 0.420455 | 0.726027 |
66 | AOC | 0.420455 | 0.802817 |
67 | OZV | 0.42 | 0.901408 |
68 | SFG | 0.419355 | 0.753425 |
69 | 6JR | 0.419048 | 0.927536 |
70 | ADP | 0.417582 | 0.901408 |
71 | AP5 | 0.417582 | 0.928571 |
72 | B4P | 0.417582 | 0.928571 |
73 | 5AS | 0.417582 | 0.741176 |
74 | KL2 | 0.416667 | 0.84507 |
75 | A3N | 0.41573 | 0.767123 |
76 | APC | 0.414894 | 0.864865 |
77 | AN2 | 0.413043 | 0.888889 |
78 | SON | 0.413043 | 0.864865 |
79 | AT4 | 0.413043 | 0.864865 |
80 | ADP MG | 0.413043 | 0.9 |
81 | ADP BEF | 0.413043 | 0.9 |
82 | EEM | 0.412371 | 0.691358 |
83 | LQJ | 0.411215 | 0.928571 |
84 | GJV | 0.411111 | 0.730769 |
85 | N5A | 0.411111 | 0.716216 |
86 | GGZ | 0.41 | 0.78481 |
87 | OVE | 0.409091 | 0.863014 |
88 | AU1 | 0.408602 | 0.876712 |
89 | CA0 | 0.408602 | 0.876712 |
90 | ADX | 0.408602 | 0.810127 |
91 | M33 | 0.408602 | 0.888889 |
92 | A3P | 0.406593 | 0.927536 |
93 | ACP | 0.404255 | 0.876712 |
94 | 5X8 | 0.404255 | 0.767123 |
95 | KG4 | 0.404255 | 0.876712 |
96 | ATP | 0.404255 | 0.901408 |
97 | 50T | 0.404255 | 0.888889 |
98 | HEJ | 0.404255 | 0.901408 |
99 | SAM | 0.402062 | 0.691358 |
100 | 0UM | 0.401961 | 0.7 |
101 | NWZ | 0.4 | 0.727273 |
102 | AR6 | 0.4 | 0.901408 |
103 | AQP | 0.4 | 0.901408 |
104 | 5FA | 0.4 | 0.901408 |
105 | APR | 0.4 | 0.901408 |
106 | PRX | 0.4 | 0.876712 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6J7 | 0.9695 |
2 | 6SY | 0.9537 |
3 | 5GP | 0.9481 |
4 | CC7 | 0.9475 |
5 | 7D5 | 0.9238 |
6 | 3GP | 0.9217 |
7 | D5M | 0.9200 |
8 | DGP | 0.9164 |
9 | IMH | 0.9147 |
10 | 0QX | 0.9126 |
11 | 8BR | 0.9121 |
12 | DBM | 0.9110 |
13 | QRP | 0.9082 |
14 | QTJ | 0.9071 |
15 | FMC | 0.9063 |
16 | UFP | 0.9061 |
17 | C4F | 0.9050 |
18 | TMP | 0.9048 |
19 | NYM | 0.9046 |
20 | IGP | 0.9044 |
21 | 1DA | 0.9041 |
22 | C5Q | 0.9041 |
23 | AFX | 0.9036 |
24 | NOS | 0.9036 |
25 | IMP | 0.9032 |
26 | TBN | 0.9032 |
27 | LRT | 0.9020 |
28 | 8MF | 0.9014 |
29 | HMK | 0.9011 |
30 | G | 0.9005 |
31 | CH | 0.9002 |
32 | 5R9 | 0.9000 |
33 | 71V | 0.8995 |
34 | FDM | 0.8989 |
35 | 4YE | 0.8986 |
36 | FEU | 0.8983 |
37 | LFK | 0.8982 |
38 | 2DT | 0.8980 |
39 | MQR | 0.8979 |
40 | LOX XYP | 0.8978 |
41 | TCT | 0.8972 |
42 | 9W8 | 0.8970 |
43 | 5FD | 0.8967 |
44 | AGV | 0.8966 |
45 | EST | 0.8965 |
46 | 5CK | 0.8961 |
47 | UMP | 0.8957 |
48 | DU | 0.8957 |
49 | U | 0.8957 |
50 | CWU | 0.8949 |
51 | MTP | 0.8945 |
52 | U5P | 0.8944 |
53 | GMP | 0.8941 |
54 | 9RK | 0.8939 |
55 | 94M | 0.8938 |
56 | 8OG | 0.8936 |
57 | DCM | 0.8935 |
58 | XYP XYS | 0.8930 |
59 | JMQ | 0.8929 |
60 | FTU | 0.8928 |
61 | KTM | 0.8919 |
62 | VIB | 0.8917 |
63 | XYP XYP | 0.8917 |
64 | MBY | 0.8914 |
65 | 1OX | 0.8911 |
66 | KUP | 0.8907 |
67 | P1Y | 0.8903 |
68 | IXG | 0.8900 |
69 | HPR | 0.8895 |
70 | PRH | 0.8895 |
71 | HFS | 0.8894 |
72 | CHJ | 0.8893 |
73 | 5F1 | 0.8891 |
74 | ECS | 0.8890 |
75 | SDN | 0.8889 |
76 | MDR | 0.8889 |
77 | 5ID | 0.8885 |
78 | DDN | 0.8883 |
79 | 0NH | 0.8880 |
80 | M77 | 0.8879 |
81 | C | 0.8878 |
82 | NXB | 0.8877 |
83 | 205 | 0.8869 |
84 | XYP XIM | 0.8868 |
85 | 4K2 | 0.8868 |
86 | QNI | 0.8867 |
87 | SIJ | 0.8866 |
88 | 103 | 0.8865 |
89 | Q11 | 0.8861 |
90 | 9KL | 0.8859 |
91 | JA3 | 0.8857 |
92 | IMK | 0.8856 |
93 | ACJ | 0.8854 |
94 | FT3 | 0.8851 |
95 | C5P | 0.8849 |
96 | ESZ | 0.8846 |
97 | DOC | 0.8841 |
98 | 8CS | 0.8841 |
99 | XYS XYS | 0.8839 |
100 | 7CS | 0.8835 |
101 | MQ1 | 0.8833 |
102 | PUR | 0.8832 |
103 | 27M | 0.8828 |
104 | FMP | 0.8825 |
105 | CR4 | 0.8823 |
106 | BMZ | 0.8823 |
107 | 5CJ | 0.8821 |
108 | 69K | 0.8820 |
109 | 15I | 0.8819 |
110 | ON1 | 0.8818 |
111 | 5HU | 0.8816 |
112 | EQU | 0.8816 |
113 | J90 | 0.8815 |
114 | 7G0 | 0.8811 |
115 | 1V8 | 0.8810 |
116 | 7XX | 0.8805 |
117 | 801 | 0.8805 |
118 | CDY | 0.8799 |
119 | FB4 | 0.8799 |
120 | WCU | 0.8797 |
121 | UMC | 0.8796 |
122 | SCE | 0.8796 |
123 | QEI | 0.8794 |
124 | PV0 | 0.8794 |
125 | 120 | 0.8793 |
126 | 7FZ | 0.8792 |
127 | QS4 | 0.8789 |
128 | ESL | 0.8785 |
129 | CHV | 0.8784 |
130 | 7G1 | 0.8783 |
131 | IXE | 0.8781 |
132 | L6Y | 0.8781 |
133 | 47X | 0.8780 |
134 | P1S | 0.8777 |
135 | F91 | 0.8773 |
136 | 4KN | 0.8771 |
137 | 7ZO | 0.8768 |
138 | J3Z | 0.8766 |
139 | TXS | 0.8765 |
140 | NVS | 0.8765 |
141 | FT2 | 0.8764 |
142 | ZT2 | 0.8761 |
143 | TQT | 0.8757 |
144 | TYP | 0.8755 |
145 | 4P9 | 0.8750 |
146 | 5F7 | 0.8748 |
147 | CQW | 0.8748 |
148 | EZB | 0.8743 |
149 | 5YA | 0.8742 |
150 | INI | 0.8739 |
151 | KTV | 0.8734 |
152 | TKT | 0.8728 |
153 | CWE | 0.8727 |
154 | JFS | 0.8726 |
155 | 72H | 0.8725 |
156 | 4NR | 0.8722 |
157 | Q0K | 0.8721 |
158 | GEN | 0.8720 |
159 | 3WJ | 0.8720 |
160 | PFT | 0.8711 |
161 | TOP | 0.8711 |
162 | TCL | 0.8710 |
163 | FTK | 0.8707 |
164 | NOJ BGC | 0.8706 |
165 | 6WR | 0.8704 |
166 | 15Q | 0.8704 |
167 | IQW | 0.8702 |
168 | QTM | 0.8700 |
169 | MR4 | 0.8699 |
170 | GJB | 0.8699 |
171 | ESM | 0.8698 |
172 | B2L | 0.8698 |
173 | 1Q4 | 0.8697 |
174 | 8M5 | 0.8697 |
175 | GJW | 0.8696 |
176 | F01 | 0.8693 |
177 | 4L2 | 0.8693 |
178 | CBJ | 0.8692 |
179 | Q92 | 0.8692 |
180 | AOM | 0.8691 |
181 | 6QT | 0.8686 |
182 | 17M | 0.8683 |
183 | PV2 | 0.8681 |
184 | 6EL | 0.8676 |
185 | 6BK | 0.8670 |
186 | MCF | 0.8670 |
187 | FT1 | 0.8669 |
188 | PV1 | 0.8667 |
189 | JZ8 | 0.8666 |
190 | J43 | 0.8663 |
191 | QTV | 0.8662 |
192 | 3WK | 0.8661 |
193 | XDL XYP | 0.8661 |
194 | EMU | 0.8658 |
195 | KWV | 0.8654 |
196 | 6WL | 0.8654 |
197 | MRE | 0.8653 |
198 | 68C | 0.8652 |
199 | D59 | 0.8651 |
200 | AJ6 | 0.8647 |
201 | 8WB | 0.8645 |
202 | 7G2 | 0.8643 |
203 | MI2 | 0.8640 |
204 | M01 | 0.8636 |
205 | AX6 | 0.8635 |
206 | PV8 | 0.8634 |
207 | MR5 | 0.8633 |
208 | RE2 | 0.8621 |
209 | J5Z | 0.8620 |
210 | T98 | 0.8619 |
211 | GZT | 0.8618 |
212 | ZTW | 0.8617 |
213 | 1UR | 0.8613 |
214 | BRY | 0.8612 |
215 | LU2 | 0.8607 |
216 | PZJ | 0.8606 |
217 | 72E | 0.8606 |
218 | JPB | 0.8605 |
219 | B5A | 0.8602 |
220 | 124 | 0.8602 |
221 | CUE | 0.8602 |
222 | 2BI | 0.8599 |
223 | EF2 | 0.8599 |
224 | IXM | 0.8596 |
225 | YUG | 0.8596 |
226 | GAL FUC | 0.8595 |
227 | JOE | 0.8595 |
228 | AJ8 | 0.8592 |
229 | 2QV | 0.8591 |
230 | WDT | 0.8591 |
231 | LVY | 0.8590 |
232 | XYS AZI XYS | 0.8590 |
233 | URI | 0.8589 |
234 | CC2 | 0.8588 |
235 | 51P | 0.8588 |
236 | 0DJ | 0.8583 |
237 | 7A9 | 0.8583 |
238 | DTC | 0.8581 |
239 | 2QU | 0.8581 |
240 | NEU | 0.8580 |
241 | TVC | 0.8580 |
242 | 8HG | 0.8580 |
243 | CX5 | 0.8580 |
244 | OJ7 | 0.8576 |
245 | 1CE | 0.8575 |
246 | 29F | 0.8574 |
247 | AP6 | 0.8571 |
248 | TQ4 | 0.8566 |
249 | DHT | 0.8565 |
250 | 6ZE | 0.8559 |
251 | IMQ | 0.8558 |
252 | BFS | 0.8556 |
253 | XDI | 0.8553 |
254 | 1V0 | 0.8552 |
255 | 789 | 0.8551 |
256 | OAG | 0.8549 |
257 | 1HP | 0.8547 |
258 | 738 | 0.8544 |
259 | OSY | 0.8544 |
260 | NQE | 0.8539 |
261 | 2H4 | 0.8538 |
262 | CUH | 0.8536 |
263 | A64 | 0.8529 |
264 | E2N | 0.8522 |
265 | F21 | 0.8522 |
266 | 9HK | 0.8521 |
267 | SJR | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 2ptm.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4AVB | CMP | 9.59596 |
2 | 4AVB | CMP | 9.59596 |
3 | 1NE6 | SP1 | 22.7273 |
4 | 1NE6 | SP1 | 22.7273 |
5 | 4OFG | PCG | 23.6111 |
6 | 5KJZ | PCG | 24 |
7 | 6HQ7 | PCG | 24.7475 |
8 | 6HQ7 | PCG | 24.7475 |
9 | 3SHR | CMP | 25.7576 |
10 | 3SHR | CMP | 25.7576 |
11 | 3SHR | CMP | 25.7576 |
12 | 6FTF | 7CI | 25.7576 |
13 | 3OF1 | CMP | 26.2626 |
14 | 5KBF | CMP | 26.2626 |
15 | 5KBF | CMP | 26.2626 |
16 | 3OF1 | CMP | 26.2626 |
17 | 5KBF | CMP | 26.2626 |
18 | 5KBF | CMP | 26.2626 |
19 | 3PNA | CMP | 29.2208 |
20 | 3PNA | CMP | 29.2208 |
21 | 3PNA | CMP | 29.2208 |
22 | 3PNA | CMP | 29.2208 |
23 | 1CX4 | CMP | 29.2929 |
24 | 3OCP | CMP | 30.2158 |
25 | 3OCP | CMP | 30.2158 |
26 | 5C8W | PCG | 30.7692 |
27 | 5C8W | PCG | 30.7692 |
28 | 5C8W | PCG | 30.7692 |
29 | 5C8W | PCG | 30.7692 |
30 | 5C8W | PCG | 30.7692 |
31 | 5C8W | PCG | 30.7692 |
32 | 4KU7 | PCG | 33.3333 |
33 | 5K8S | CMP | 35.1351 |
34 | 5JAX | 6J7 | 37.7778 |
35 | 5BV6 | 35G | 38.8158 |
36 | 4MUV | PCG | 40.1408 |
37 | 4MUV | PCG | 40.1408 |
38 | 4MUV | PCG | 40.1408 |
39 | 4MUV | PCG | 40.1408 |
This union binding pocket(no: 2) in the query (biounit: 2ptm.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2ptm.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2ptm.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |