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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 4QBZ | - | D80 | C14 H15 N3 O | CCCCc1nc2c.... |
2 | 5WYZ | Kd = 21 nM | 7VF | C16 H13 N O2 | Cc1cc(ccc1.... |
3 | 4R07 | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
4 | 3W3J | - | C09 | C13 H14 N4 O | CCOCc1[nH].... |
5 | 4QC0 | - | XG1 | C14 H16 N4 | CCCCn1cc2c.... |
6 | 6ZJZ | ic50 = 120 nM | QLH | C16 H15 F3 N4 | c1cc2c(ccc.... |
7 | 3WN4 | - | D87 | C15 H16 N2 O | CCCCc1cc2c.... |
8 | 3W3K | - | L07 | C13 H13 N3 S | CCCc1nc2c(.... |
9 | 5AWB | - | M0A | C22 H25 N5 | CCCCc1nc2c.... |
10 | 4R08 | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
11 | 3W3L | - | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
12 | 5WYX | Kd = 0.22 uM | CU8 | C14 H12 N4 O | Cc1cccc(c1.... |
13 | 3W3N | - | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
14 | 4R0A | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
15 | 5AWD | - | IDQ | C22 H25 N5 | CCCCc1nc2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 4QBZ | - | D80 | C14 H15 N3 O | CCCCc1nc2c.... |
2 | 5WYZ | Kd = 21 nM | 7VF | C16 H13 N O2 | Cc1cc(ccc1.... |
3 | 4R07 | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
4 | 3W3J | - | C09 | C13 H14 N4 O | CCOCc1[nH].... |
5 | 4QC0 | - | XG1 | C14 H16 N4 | CCCCn1cc2c.... |
6 | 6ZJZ | ic50 = 120 nM | QLH | C16 H15 F3 N4 | c1cc2c(ccc.... |
7 | 3WN4 | - | D87 | C15 H16 N2 O | CCCCc1cc2c.... |
8 | 3W3K | - | L07 | C13 H13 N3 S | CCCc1nc2c(.... |
9 | 5AWB | - | M0A | C22 H25 N5 | CCCCc1nc2c.... |
10 | 4R08 | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
11 | 3W3L | - | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
12 | 5WYX | Kd = 0.22 uM | CU8 | C14 H12 N4 O | Cc1cccc(c1.... |
13 | 3W3N | - | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
14 | 4R0A | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
15 | 5AWD | - | IDQ | C22 H25 N5 | CCCCc1nc2c.... |
16 | 5GMF | Kd = 1 uM | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
17 | 5GMH | Kd = 0.49 uM | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CU8 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KP2 | 0.9457 |
2 | 6JO | 0.9453 |
3 | Q8G | 0.9403 |
4 | 1V4 | 0.9344 |
5 | 7L4 | 0.9315 |
6 | LIG | 0.9288 |
7 | Q0K | 0.9283 |
8 | 2QU | 0.9273 |
9 | 1V3 | 0.9259 |
10 | 4NR | 0.9255 |
11 | 6QT | 0.9255 |
12 | 3QI | 0.9249 |
13 | 7VF | 0.9242 |
14 | DDC | 0.9238 |
15 | 40N | 0.9230 |
16 | 6DQ | 0.9220 |
17 | Q4G | 0.9180 |
18 | Q8D | 0.9176 |
19 | 6JM | 0.9173 |
20 | IQW | 0.9161 |
21 | 7M2 | 0.9142 |
22 | 2JX | 0.9130 |
23 | 7M5 | 0.9123 |
24 | 0UL | 0.9107 |
25 | 0OK | 0.9092 |
26 | KOM | 0.9091 |
27 | 3WL | 0.9091 |
28 | 57D | 0.9082 |
29 | SER DNF | 0.9079 |
30 | DNF SER | 0.9079 |
31 | 3JC | 0.9078 |
32 | A73 | 0.9077 |
33 | 2GE | 0.9077 |
34 | 22L | 0.9074 |
35 | 1Q4 | 0.9069 |
36 | FCW | 0.9055 |
37 | 7EH | 0.9054 |
38 | RSV | 0.9052 |
39 | TGW | 0.9048 |
40 | KW7 | 0.9047 |
41 | AP6 | 0.9036 |
42 | SNB | 0.9033 |
43 | F4U | 0.9029 |
44 | 3WJ | 0.9027 |
45 | 20D | 0.9019 |
46 | AVX | 0.9018 |
47 | 0DF | 0.9014 |
48 | 2QV | 0.9009 |
49 | XEV | 0.8999 |
50 | AUE | 0.8998 |
51 | 51Y | 0.8995 |
52 | 1V1 | 0.8991 |
53 | WLH | 0.8986 |
54 | PIQ | 0.8978 |
55 | 3DE | 0.8975 |
56 | FL8 | 0.8970 |
57 | DFV | 0.8969 |
58 | EF2 | 0.8966 |
59 | FT6 | 0.8961 |
60 | AVA | 0.8959 |
61 | 6XC | 0.8958 |
62 | EI1 | 0.8955 |
63 | GJG | 0.8948 |
64 | BBY | 0.8947 |
65 | DFL | 0.8943 |
66 | 2GQ | 0.8931 |
67 | 3WN | 0.8930 |
68 | 3WO | 0.8930 |
69 | 47X | 0.8929 |
70 | GEN | 0.8925 |
71 | 5FL | 0.8923 |
72 | KMP | 0.8919 |
73 | AWE | 0.8918 |
74 | QUE | 0.8916 |
75 | 9FH | 0.8913 |
76 | QKU | 0.8906 |
77 | L1T | 0.8895 |
78 | AJD | 0.8894 |
79 | AUG | 0.8894 |
80 | 1HP | 0.8893 |
81 | LP8 | 0.8892 |
82 | SNJ | 0.8889 |
83 | AJ4 | 0.8888 |
84 | J84 | 0.8887 |
85 | JOB | 0.8884 |
86 | XYP XYP | 0.8880 |
87 | 789 | 0.8879 |
88 | 3WK | 0.8876 |
89 | 5F8 | 0.8873 |
90 | 8D6 | 0.8873 |
91 | BIE | 0.8872 |
92 | IQQ | 0.8871 |
93 | 3UG | 0.8868 |
94 | CC6 | 0.8868 |
95 | CX6 | 0.8863 |
96 | 5DE | 0.8860 |
97 | 6EL | 0.8859 |
98 | LU2 | 0.8858 |
99 | 6DE | 0.8855 |
100 | WVV | 0.8853 |
101 | AGI | 0.8851 |
102 | K48 | 0.8847 |
103 | PQM | 0.8847 |
104 | B2L | 0.8840 |
105 | 4AB | 0.8829 |
106 | LZ4 | 0.8829 |
107 | 27M | 0.8829 |
108 | D64 | 0.8828 |
109 | 5I5 | 0.8822 |
110 | Y70 | 0.8821 |
111 | EES | 0.8816 |
112 | 5C1 | 0.8812 |
113 | 3Y7 | 0.8811 |
114 | A05 | 0.8806 |
115 | 15Q | 0.8800 |
116 | AUV | 0.8796 |
117 | WCU | 0.8796 |
118 | C93 | 0.8793 |
119 | LFQ | 0.8790 |
120 | L5D | 0.8789 |
121 | 3D1 | 0.8787 |
122 | CX4 | 0.8785 |
123 | EV2 | 0.8785 |
124 | XIF XYP | 0.8784 |
125 | XYP XIF | 0.8784 |
126 | 4UM | 0.8784 |
127 | 1FE | 0.8779 |
128 | 7EL | 0.8779 |
129 | 96Z | 0.8771 |
130 | H2B | 0.8763 |
131 | HBI | 0.8763 |
132 | DBE | 0.8762 |
133 | ADN | 0.8757 |
134 | H4B | 0.8751 |
135 | BIO | 0.8750 |
136 | LVY | 0.8750 |
137 | VUP | 0.8746 |
138 | AQN | 0.8745 |
139 | ZAR | 0.8743 |
140 | 7FZ | 0.8741 |
141 | AV4 | 0.8741 |
142 | MUR | 0.8736 |
143 | KXN | 0.8736 |
144 | B2X | 0.8733 |
145 | NAR | 0.8731 |
146 | 4EU | 0.8731 |
147 | U3P | 0.8727 |
148 | PQS | 0.8727 |
149 | CUE | 0.8727 |
150 | 5AD | 0.8725 |
151 | TI7 | 0.8721 |
152 | DX2 | 0.8721 |
153 | XYS XYS | 0.8716 |
154 | 1ER | 0.8710 |
155 | 555 | 0.8710 |
156 | BHS | 0.8710 |
157 | TRP | 0.8704 |
158 | YZ9 | 0.8703 |
159 | ZSP | 0.8703 |
160 | 6J9 | 0.8702 |
161 | 5P3 | 0.8702 |
162 | NAG | 0.8684 |
163 | TYP | 0.8683 |
164 | CP6 | 0.8683 |
165 | 9FG | 0.8683 |
166 | 4MP | 0.8678 |
167 | 6B5 | 0.8676 |
168 | 1SF | 0.8675 |
169 | Z21 | 0.8671 |
170 | EZN | 0.8669 |
171 | 8HG | 0.8668 |
172 | 5F5 | 0.8664 |
173 | 4GU | 0.8663 |
174 | C4E | 0.8659 |
175 | 92O | 0.8655 |
176 | 0DJ | 0.8654 |
177 | 8WB | 0.8652 |
178 | 108 | 0.8651 |
179 | AXX | 0.8646 |
180 | GDL | 0.8642 |
181 | AJ6 | 0.8640 |
182 | XDL XYP | 0.8639 |
183 | XDH | 0.8634 |
184 | Q5M | 0.8632 |
185 | 5OR | 0.8632 |
186 | 6J3 | 0.8631 |
187 | 9BF | 0.8627 |
188 | FX5 | 0.8626 |
189 | 5CD | 0.8621 |
190 | DCZ | 0.8616 |
191 | 9KZ | 0.8613 |
192 | EST | 0.8613 |
193 | CHQ | 0.8611 |
194 | B52 | 0.8609 |
195 | 4AU | 0.8608 |
196 | CWE | 0.8608 |
197 | THM | 0.8606 |
198 | JFS | 0.8603 |
199 | T98 | 0.8598 |
200 | 54E | 0.8597 |
201 | AJ1 | 0.8597 |
202 | NPX | 0.8591 |
203 | 9UL | 0.8587 |
204 | 5FD | 0.8584 |
205 | 89J | 0.8578 |
206 | XYS XYP | 0.8574 |
207 | BX4 | 0.8568 |
208 | KLE | 0.8567 |
209 | DH2 | 0.8561 |
210 | 1FL | 0.8560 |
211 | OTA | 0.8546 |
212 | G14 | 0.8536 |
213 | PNX | 0.8529 |
214 | 28B | 0.8529 |
215 | DJL | 0.8528 |
216 | Q9G | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 5wyz.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5wyz.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |