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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 4 families. | |||||
1 | 2YC3 | ic50 = 0.14 uM | MW5 | C12 H9 Cl N4 O | c1ccc(cc1).... |
2 | 2YC5 | ic50 = 0.035 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
3 | 4NAK | ic50 = 1.4 uM | PBQ | C10 H4 Br5 N O | c1c(cc(c(c.... |
4 | 2YCM | ic50 = 274 uM | 30A | C14 H10 Cl N3 O3 | c1ccc(cc1).... |
5 | 5MRP | ic50 = 3 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
6 | 4NAN | ic50 = 19 uM | 2JM | C10 H5 Br4 N O | c1cc(c(c(c.... |
7 | 5MRM | ic50 = 9.3 uM | Q9T | C10 H4 Br2 F3 N O2 | c1c(cc(c(c.... |
8 | 1W77 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
9 | 4NAL | ic50 = 2.2 uM | H70 | C10 H4 Br3 Cl2 N O | c1c(cc(c(c.... |
10 | 5MRO | ic50 = 2 uM | Q9P | C12 H9 Cl N4 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2YC3 | ic50 = 0.14 uM | MW5 | C12 H9 Cl N4 O | c1ccc(cc1).... |
2 | 2YC5 | ic50 = 0.035 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
3 | 4NAK | ic50 = 1.4 uM | PBQ | C10 H4 Br5 N O | c1c(cc(c(c.... |
4 | 2YCM | ic50 = 274 uM | 30A | C14 H10 Cl N3 O3 | c1ccc(cc1).... |
5 | 5MRP | ic50 = 3 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
6 | 4NAN | ic50 = 19 uM | 2JM | C10 H5 Br4 N O | c1cc(c(c(c.... |
7 | 5MRM | ic50 = 9.3 uM | Q9T | C10 H4 Br2 F3 N O2 | c1c(cc(c(c.... |
8 | 1W77 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MW5 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | Q9P | 0.9973 |
2 | 4WF | 0.9460 |
3 | 6BC | 0.9432 |
4 | B5A | 0.9333 |
5 | B4L | 0.9280 |
6 | WCU | 0.9273 |
7 | E9P | 0.9260 |
8 | C4E | 0.9256 |
9 | 1Q4 | 0.9219 |
10 | HA6 | 0.9208 |
11 | PYU | 0.9186 |
12 | MJ5 | 0.9164 |
13 | AX8 | 0.9159 |
14 | 22T | 0.9145 |
15 | 69K | 0.9130 |
16 | NWL | 0.9117 |
17 | QUG | 0.9110 |
18 | 4AU | 0.9110 |
19 | H35 | 0.9101 |
20 | 3D8 | 0.9098 |
21 | 12R | 0.9095 |
22 | 3IP | 0.9090 |
23 | 9VQ | 0.9088 |
24 | NAL | 0.9085 |
25 | P2L | 0.9082 |
26 | 0FR | 0.9080 |
27 | 3WN | 0.9075 |
28 | 3WO | 0.9075 |
29 | EVO | 0.9071 |
30 | 8OB | 0.9071 |
31 | GXG | 0.9071 |
32 | CUH | 0.9069 |
33 | 8OE | 0.9065 |
34 | 4YE | 0.9063 |
35 | EMU | 0.9059 |
36 | RK4 | 0.9047 |
37 | 0QV | 0.9043 |
38 | GZV | 0.9035 |
39 | NKI | 0.9033 |
40 | FPL | 0.9031 |
41 | UAY | 0.9023 |
42 | TGW | 0.9021 |
43 | DCN | 0.9008 |
44 | 3AK | 0.9001 |
45 | DE7 | 0.8996 |
46 | CUT | 0.8994 |
47 | 96Z | 0.8994 |
48 | 7QY | 0.8992 |
49 | 0OM | 0.8986 |
50 | E9S | 0.8983 |
51 | BC3 | 0.8981 |
52 | 30A | 0.8981 |
53 | LI7 | 0.8980 |
54 | 6C5 | 0.8979 |
55 | AP6 | 0.8976 |
56 | FT6 | 0.8973 |
57 | CHQ | 0.8970 |
58 | WLH | 0.8969 |
59 | BIE | 0.8968 |
60 | PW1 | 0.8965 |
61 | D1Y | 0.8960 |
62 | TRP | 0.8959 |
63 | LR2 | 0.8953 |
64 | 1AJ | 0.8949 |
65 | CH8 | 0.8949 |
66 | AJD | 0.8946 |
67 | ENG | 0.8944 |
68 | JE7 | 0.8944 |
69 | SOJ | 0.8940 |
70 | JNS | 0.8935 |
71 | X2M | 0.8932 |
72 | RVE | 0.8923 |
73 | A7Q | 0.8921 |
74 | AKD | 0.8921 |
75 | 7ZO | 0.8918 |
76 | NAR | 0.8918 |
77 | 11X | 0.8911 |
78 | JA3 | 0.8909 |
79 | 6MW | 0.8906 |
80 | HHV | 0.8906 |
81 | KYN | 0.8905 |
82 | XIF XYP | 0.8897 |
83 | SIZ | 0.8896 |
84 | 0OY | 0.8892 |
85 | A4V | 0.8888 |
86 | 2L1 | 0.8885 |
87 | LI4 | 0.8885 |
88 | PV4 | 0.8883 |
89 | LVY | 0.8879 |
90 | 3WK | 0.8877 |
91 | GXD | 0.8876 |
92 | H4B | 0.8876 |
93 | 7M2 | 0.8874 |
94 | JF5 | 0.8871 |
95 | 3IL | 0.8864 |
96 | 848 | 0.8860 |
97 | 4EU | 0.8855 |
98 | QEI | 0.8852 |
99 | CX4 | 0.8852 |
100 | XYP XYP | 0.8851 |
101 | YX1 | 0.8849 |
102 | 3JC | 0.8849 |
103 | 27M | 0.8846 |
104 | GU7 | 0.8845 |
105 | 9KZ | 0.8842 |
106 | M77 | 0.8842 |
107 | 39Z | 0.8841 |
108 | STZ | 0.8840 |
109 | 4GU | 0.8838 |
110 | TCL | 0.8838 |
111 | XDL XYP | 0.8837 |
112 | TCC | 0.8834 |
113 | 6DQ | 0.8833 |
114 | W1G | 0.8831 |
115 | 3SU | 0.8830 |
116 | 4Z9 | 0.8830 |
117 | EQA | 0.8830 |
118 | MBP | 0.8828 |
119 | CTE | 0.8822 |
120 | PLR | 0.8818 |
121 | DBE | 0.8816 |
122 | 6XC | 0.8814 |
123 | Q5M | 0.8812 |
124 | 3D1 | 0.8811 |
125 | XYP XDN | 0.8809 |
126 | 272 | 0.8805 |
127 | NHT | 0.8804 |
128 | FT3 | 0.8804 |
129 | F5C | 0.8791 |
130 | ADN | 0.8788 |
131 | J47 | 0.8785 |
132 | NIY | 0.8784 |
133 | PFT | 0.8783 |
134 | 2AN | 0.8780 |
135 | 4KR | 0.8779 |
136 | FT1 | 0.8778 |
137 | 0OP | 0.8773 |
138 | BGK | 0.8772 |
139 | PLP | 0.8771 |
140 | G8V | 0.8769 |
141 | XYP XIF | 0.8767 |
142 | Q8G | 0.8767 |
143 | PMM | 0.8767 |
144 | FWD | 0.8765 |
145 | ZEA | 0.8763 |
146 | 2L2 | 0.8762 |
147 | 5R9 | 0.8761 |
148 | RE4 | 0.8761 |
149 | SCE | 0.8756 |
150 | 9JT | 0.8755 |
151 | XYS XYS | 0.8754 |
152 | 613 | 0.8747 |
153 | PMP | 0.8747 |
154 | S46 | 0.8745 |
155 | X04 | 0.8743 |
156 | GJB | 0.8743 |
157 | QUB | 0.8738 |
158 | AMR | 0.8736 |
159 | CUQ | 0.8733 |
160 | IDZ | 0.8731 |
161 | HO6 | 0.8728 |
162 | CC5 | 0.8724 |
163 | SLY | 0.8724 |
164 | 4JV | 0.8723 |
165 | XIL | 0.8718 |
166 | QRP | 0.8713 |
167 | DBS | 0.8712 |
168 | XYP XIM | 0.8712 |
169 | 5AD | 0.8705 |
170 | TMG | 0.8704 |
171 | 47V | 0.8704 |
172 | PXP | 0.8699 |
173 | ZSP | 0.8697 |
174 | MUR | 0.8693 |
175 | XDN XYP | 0.8689 |
176 | 3LJ | 0.8689 |
177 | Q8D | 0.8689 |
178 | 62P | 0.8688 |
179 | M02 | 0.8688 |
180 | FB4 | 0.8687 |
181 | TPM | 0.8683 |
182 | CWU | 0.8677 |
183 | C82 | 0.8672 |
184 | JY2 | 0.8671 |
185 | BZM | 0.8671 |
186 | XYS XYP | 0.8669 |
187 | YUG | 0.8664 |
188 | FT2 | 0.8657 |
189 | JXT | 0.8656 |
190 | 8Y7 | 0.8654 |
191 | PPN | 0.8652 |
192 | YKG | 0.8651 |
193 | 4P8 | 0.8649 |
194 | 6HP | 0.8646 |
195 | HX8 | 0.8645 |
196 | 4MP | 0.8643 |
197 | DX6 | 0.8641 |
198 | H7S | 0.8633 |
199 | 2SK | 0.8632 |
200 | 67Y | 0.8631 |
201 | BG6 | 0.8631 |
202 | GNR | 0.8630 |
203 | HBI | 0.8628 |
204 | MMS | 0.8627 |
205 | 5TO | 0.8623 |
206 | AWE | 0.8622 |
207 | ZT2 | 0.8621 |
208 | G6P | 0.8614 |
209 | CHV | 0.8609 |
210 | OJD | 0.8608 |
211 | LJ4 | 0.8607 |
212 | NPL | 0.8607 |
213 | M5H | 0.8606 |
214 | HXY | 0.8601 |
215 | B21 | 0.8601 |
216 | 9UL | 0.8599 |
217 | CBE | 0.8597 |
218 | KF5 | 0.8596 |
219 | MEX | 0.8587 |
220 | YE6 | 0.8585 |
221 | BY5 | 0.8584 |
222 | 3AD | 0.8583 |
223 | DTR | 0.8578 |
224 | LHY | 0.8576 |
225 | NCV | 0.8563 |
226 | CLU | 0.8562 |
227 | ING | 0.8561 |
228 | ZIP | 0.8556 |
229 | KWB | 0.8553 |
230 | TYP | 0.8552 |
231 | WVV | 0.8548 |
232 | Y3J | 0.8538 |
233 | RVN | 0.8538 |
234 | LQG | 0.8536 |
235 | 78U | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 2yc5.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2yc5.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |