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- Structure Biounit | Ligand Information
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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 20 families. | |||||
1 | 4TX6 | ic50 = 2.6 uM | 38B | C13 H11 N3 O3 | CC1=Nc2c(c.... |
2 | 2XTK | ic50 = 164 uM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
3 | 2XVN | ic50 = 112 uM | KLS | C9 H12 N4 O | CNC(=O)NC(.... |
4 | 2XUC | ic50 = 79 uM | XRG | C4 H10 N4 O | [H]/N=C(NC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 4TX6 | ic50 = 2.6 uM | 38B | C13 H11 N3 O3 | CC1=Nc2c(c.... |
2 | 2XTK | ic50 = 164 uM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
3 | 2XVN | ic50 = 112 uM | KLS | C9 H12 N4 O | CNC(=O)NC(.... |
4 | 2XUC | ic50 = 79 uM | XRG | C4 H10 N4 O | [H]/N=C(NC.... |
5 | 2UY4 | Ki = 21 uM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
6 | 4TXE | ic50 = 2.4 uM | 38F | C20 H25 N O2 | Cc1ccc(cc1.... |
7 | 2UY3 | Ki = 600 uM | H33 | C7 H7 Cl N4 O2 | CN1c2c([nH.... |
8 | 2UY5 | Ki = 3.2 uM | H35 | C10 H9 N5 O | c1cc(oc1)C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 38B | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 27M | 0.9297 |
2 | KP2 | 0.9279 |
3 | FMC | 0.9266 |
4 | TBN | 0.9262 |
5 | Q0K | 0.9260 |
6 | ADN | 0.9260 |
7 | FMB | 0.9254 |
8 | IMH | 0.9227 |
9 | EF2 | 0.9215 |
10 | FM1 | 0.9186 |
11 | KW7 | 0.9184 |
12 | BXZ | 0.9168 |
13 | NOS | 0.9167 |
14 | MEX | 0.9159 |
15 | URI | 0.9152 |
16 | 22L | 0.9133 |
17 | 3BH | 0.9121 |
18 | 9DI | 0.9120 |
19 | MTP | 0.9105 |
20 | BP3 | 0.9101 |
21 | FM2 | 0.9098 |
22 | 4NR | 0.9096 |
23 | MDR | 0.9086 |
24 | 6EL | 0.9084 |
25 | 5NB | 0.9060 |
26 | SNI | 0.9050 |
27 | 3D1 | 0.9045 |
28 | EAJ | 0.9031 |
29 | XYA | 0.9028 |
30 | A7K | 0.9024 |
31 | 9CE | 0.9017 |
32 | 54X | 0.9001 |
33 | LL1 | 0.9000 |
34 | 5V7 | 0.8997 |
35 | KF5 | 0.8994 |
36 | 5AD | 0.8987 |
37 | IQW | 0.8987 |
38 | WVV | 0.8986 |
39 | RAB | 0.8986 |
40 | 9UL | 0.8978 |
41 | AHR FUB | 0.8976 |
42 | MTA | 0.8970 |
43 | GMP | 0.8967 |
44 | JOB | 0.8967 |
45 | AUV | 0.8964 |
46 | 4EU | 0.8958 |
47 | TC8 | 0.8952 |
48 | 2FA | 0.8949 |
49 | RVE | 0.8948 |
50 | PZ8 | 0.8948 |
51 | MTH | 0.8938 |
52 | CC5 | 0.8936 |
53 | SA0 | 0.8932 |
54 | A9K | 0.8928 |
55 | A3Q | 0.8927 |
56 | TAL | 0.8926 |
57 | RVB | 0.8923 |
58 | TCL | 0.8913 |
59 | JD7 | 0.8911 |
60 | BIO | 0.8911 |
61 | 6DE | 0.8907 |
62 | LWS | 0.8906 |
63 | BP6 | 0.8904 |
64 | J84 | 0.8903 |
65 | 3L1 | 0.8903 |
66 | TCC | 0.8888 |
67 | ELH | 0.8887 |
68 | H7S | 0.8887 |
69 | X6P | 0.8879 |
70 | 5C1 | 0.8877 |
71 | A4N | 0.8877 |
72 | CUH | 0.8872 |
73 | LZJ | 0.8869 |
74 | BGC OXZ | 0.8868 |
75 | DUR | 0.8860 |
76 | BNY | 0.8860 |
77 | 64I | 0.8859 |
78 | 2J5 | 0.8858 |
79 | 9FH | 0.8857 |
80 | MTM | 0.8857 |
81 | WL3 | 0.8853 |
82 | S0G | 0.8853 |
83 | CTN | 0.8845 |
84 | JO5 | 0.8841 |
85 | IMG | 0.8840 |
86 | 5UD | 0.8839 |
87 | A4B | 0.8837 |
88 | KCH | 0.8834 |
89 | C0H | 0.8833 |
90 | 43U | 0.8823 |
91 | MTI | 0.8819 |
92 | 683 | 0.8819 |
93 | 0OK | 0.8817 |
94 | C93 | 0.8816 |
95 | DCZ | 0.8815 |
96 | A4D | 0.8815 |
97 | W29 | 0.8813 |
98 | GNG | 0.8809 |
99 | PYU | 0.8807 |
100 | X29 | 0.8807 |
101 | 6J9 | 0.8806 |
102 | 2FD | 0.8804 |
103 | THM | 0.8796 |
104 | LVY | 0.8796 |
105 | A4Q | 0.8795 |
106 | Q11 | 0.8792 |
107 | L13 | 0.8790 |
108 | CUT | 0.8788 |
109 | BBY | 0.8787 |
110 | ERZ | 0.8783 |
111 | RFZ | 0.8781 |
112 | 5AE | 0.8781 |
113 | 5I5 | 0.8779 |
114 | IKY | 0.8776 |
115 | CTD | 0.8775 |
116 | ACK | 0.8769 |
117 | 0GA | 0.8769 |
118 | 1SF | 0.8767 |
119 | WCU | 0.8765 |
120 | 3WJ | 0.8762 |
121 | FC3 | 0.8761 |
122 | TRP | 0.8759 |
123 | FCD | 0.8757 |
124 | 7L4 | 0.8757 |
125 | 36Z | 0.8756 |
126 | HBI | 0.8754 |
127 | SQP | 0.8749 |
128 | NYJ | 0.8745 |
129 | 1FL | 0.8745 |
130 | 8OX | 0.8745 |
131 | AOJ | 0.8744 |
132 | 1ER | 0.8736 |
133 | FB4 | 0.8735 |
134 | TLF | 0.8733 |
135 | JVQ | 0.8731 |
136 | 4RV | 0.8729 |
137 | 5BT | 0.8728 |
138 | BPY | 0.8727 |
139 | 2JM | 0.8725 |
140 | XYP XYP | 0.8724 |
141 | 17C | 0.8723 |
142 | 2TU | 0.8720 |
143 | 3CA | 0.8720 |
144 | 96R | 0.8718 |
145 | SNV | 0.8717 |
146 | AU8 | 0.8717 |
147 | LZK | 0.8711 |
148 | RVD | 0.8709 |
149 | LP8 | 0.8709 |
150 | 54E | 0.8708 |
151 | TR7 | 0.8706 |
152 | JMS | 0.8704 |
153 | 43S | 0.8702 |
154 | C0W | 0.8701 |
155 | XYS XYS | 0.8700 |
156 | 6J3 | 0.8698 |
157 | FUB FUB | 0.8691 |
158 | OA1 | 0.8688 |
159 | QZ8 | 0.8687 |
160 | AWE | 0.8686 |
161 | Q8G | 0.8685 |
162 | AYS | 0.8681 |
163 | 3SU | 0.8680 |
164 | 92O | 0.8680 |
165 | 3TC | 0.8679 |
166 | XYP XIF | 0.8670 |
167 | XIF XYP | 0.8670 |
168 | DKZ | 0.8670 |
169 | ID8 | 0.8666 |
170 | SLY | 0.8664 |
171 | 7R7 | 0.8663 |
172 | EV2 | 0.8662 |
173 | LR2 | 0.8660 |
174 | 5ID | 0.8659 |
175 | DTR | 0.8651 |
176 | Q4G | 0.8650 |
177 | LLT | 0.8649 |
178 | BZQ | 0.8648 |
179 | FMQ | 0.8644 |
180 | H4B | 0.8643 |
181 | 9JT | 0.8643 |
182 | IQQ | 0.8643 |
183 | 6CR | 0.8641 |
184 | DKX | 0.8640 |
185 | 5B2 | 0.8640 |
186 | 3VW | 0.8639 |
187 | 26C | 0.8637 |
188 | DK4 | 0.8632 |
189 | DBE | 0.8631 |
190 | 145 | 0.8626 |
191 | ETV | 0.8621 |
192 | Q8D | 0.8620 |
193 | J47 | 0.8617 |
194 | 89J | 0.8616 |
195 | CUQ | 0.8613 |
196 | 7FX | 0.8608 |
197 | DBM | 0.8607 |
198 | 0DF | 0.8607 |
199 | 78U | 0.8606 |
200 | FHI | 0.8605 |
201 | 0OY | 0.8603 |
202 | E1N | 0.8602 |
203 | 3B4 | 0.8599 |
204 | FPL | 0.8599 |
205 | N2Y | 0.8598 |
206 | WOE | 0.8596 |
207 | SOV | 0.8594 |
208 | 4L2 | 0.8590 |
209 | FTV | 0.8588 |
210 | MUR | 0.8586 |
211 | XFE | 0.8585 |
212 | S46 | 0.8581 |
213 | L5D | 0.8579 |
214 | JFS | 0.8571 |
215 | EQW | 0.8571 |
216 | 5F8 | 0.8569 |
217 | CJB | 0.8566 |
218 | E6Q | 0.8557 |
219 | 96Z | 0.8553 |
220 | ABJ | 0.8553 |
221 | KYN | 0.8552 |
222 | 52B | 0.8546 |
223 | 9HH | 0.8538 |
224 | PBQ | 0.8528 |
225 | 7EH | 0.8528 |
226 | 6DQ | 0.8516 |
227 | XDL XYP | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 4tx6.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4tx6.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |