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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 1331 families. | |||||
1 | 6W7G | ic50 = 0.5 nM | Q3A | C23 H22 F N5 O3 S | Cc1ccc(c(n.... |
2 | 5U8A | Ki = 13 nM | 82D | C22 H25 Br F N3 | Cn1cc(c2c1.... |
3 | 6W7F | ic50 = 0.2 nM | Q3D | C24 H22 F N5 O3 S | CS(=O)(=O).... |
4 | 5TTW | Kd = 1.09 uM | PRO SER M3L PHE NLW | n/a | n/a |
5 | 5U69 | Ki = 600 nM | LQD | C23 H29 N3 O | Cn1cc(c2c1.... |
6 | 5U5H | ic50 = 1.3 uM | 7VV | C18 H24 F N3 O | CC(C)c1c2n.... |
7 | 3JZG | - | ALA ARG M3L SER | n/a | n/a |
8 | 5U8F | Ki = 11 nM | 82G | C24 H28 F N3 | Cn1cc(c2c1.... |
9 | 5H13 | ic50 = 11.58 uM | LQA | C25 H23 N3 O4 | [H]/N=C1/C.... |
10 | 5U5K | ic50 = 95 uM | 7VY | C13 H19 N O | COc1cccc(c.... |
11 | 5U6D | Ki = 2.6 nM | 7XG | C25 H30 F N5 O | Cc1cccc(c1.... |
12 | 6SFB | - | L9K | C21 H17 N5 O3 S | CS(=O)(=O).... |
13 | 6SFC | Kd = 5.2 uM | L9T | C16 H16 N4 O2 S | Cc1c(sc(n1.... |
14 | 3JZH | - | ASP PHE M3L THR ASP | n/a | n/a |
15 | 3K27 | - | LYS GLN THR ALA ARG M3L SER THR GLY | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6W7G | ic50 = 0.5 nM | Q3A | C23 H22 F N5 O3 S | Cc1ccc(c(n.... |
2 | 5U8A | Ki = 13 nM | 82D | C22 H25 Br F N3 | Cn1cc(c2c1.... |
3 | 6W7F | ic50 = 0.2 nM | Q3D | C24 H22 F N5 O3 S | CS(=O)(=O).... |
4 | 5TTW | Kd = 1.09 uM | PRO SER M3L PHE NLW | n/a | n/a |
5 | 5U69 | Ki = 600 nM | LQD | C23 H29 N3 O | Cn1cc(c2c1.... |
6 | 5U5H | ic50 = 1.3 uM | 7VV | C18 H24 F N3 O | CC(C)c1c2n.... |
7 | 3JZG | - | ALA ARG M3L SER | n/a | n/a |
8 | 5U8F | Ki = 11 nM | 82G | C24 H28 F N3 | Cn1cc(c2c1.... |
9 | 5H13 | ic50 = 11.58 uM | LQA | C25 H23 N3 O4 | [H]/N=C1/C.... |
10 | 5U5K | ic50 = 95 uM | 7VY | C13 H19 N O | COc1cccc(c.... |
11 | 5U6D | Ki = 2.6 nM | 7XG | C25 H30 F N5 O | Cc1cccc(c1.... |
12 | 6SFB | - | L9K | C21 H17 N5 O3 S | CS(=O)(=O).... |
13 | 6SFC | Kd = 5.2 uM | L9T | C16 H16 N4 O2 S | Cc1c(sc(n1.... |
14 | 3JZH | - | ASP PHE M3L THR ASP | n/a | n/a |
15 | 3K27 | - | LYS GLN THR ALA ARG M3L SER THR GLY | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7VY | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RK4 | 0.9680 |
2 | 536 | 0.9661 |
3 | 531 | 0.9657 |
4 | VJJ | 0.9647 |
5 | 0OO | 0.9640 |
6 | 54F | 0.9560 |
7 | 0OP | 0.9524 |
8 | HHV | 0.9478 |
9 | R9G | 0.9467 |
10 | H35 | 0.9431 |
11 | EXG | 0.9416 |
12 | TZM | 0.9412 |
13 | GNW | 0.9397 |
14 | IM4 | 0.9367 |
15 | 6HO | 0.9365 |
16 | AX4 | 0.9306 |
17 | 1ZC | 0.9296 |
18 | OA1 | 0.9265 |
19 | A7Q | 0.9253 |
20 | 11X | 0.9241 |
21 | 4FP | 0.9221 |
22 | LJ4 | 0.9219 |
23 | 4RG | 0.9199 |
24 | AX5 | 0.9186 |
25 | EVO | 0.9182 |
26 | 9X3 | 0.9179 |
27 | A4V | 0.9178 |
28 | AEY | 0.9177 |
29 | TRP | 0.9169 |
30 | TH4 | 0.9161 |
31 | 108 | 0.9161 |
32 | N1Y | 0.9152 |
33 | 3VW | 0.9148 |
34 | FPL | 0.9143 |
35 | HLP | 0.9139 |
36 | S0F | 0.9122 |
37 | 9W5 | 0.9120 |
38 | 14W | 0.9118 |
39 | PZX | 0.9115 |
40 | 6C5 | 0.9113 |
41 | OJD | 0.9111 |
42 | 3AK | 0.9108 |
43 | 50Q | 0.9105 |
44 | LL2 | 0.9101 |
45 | DAH | 0.9097 |
46 | P2L | 0.9096 |
47 | 2J5 | 0.9095 |
48 | 4EU | 0.9095 |
49 | 23N | 0.9092 |
50 | NIY | 0.9092 |
51 | PW1 | 0.9091 |
52 | MMS | 0.9085 |
53 | XI7 | 0.9081 |
54 | 3QO | 0.9068 |
55 | DTR | 0.9064 |
56 | HO6 | 0.9058 |
57 | A18 | 0.9058 |
58 | NFZ | 0.9051 |
59 | ZEZ | 0.9051 |
60 | 3IP | 0.9048 |
61 | IWH | 0.9041 |
62 | 3IL | 0.9037 |
63 | IYR | 0.9035 |
64 | ITW | 0.9034 |
65 | 6C9 | 0.9034 |
66 | EMU | 0.9026 |
67 | MJ5 | 0.9023 |
68 | L12 | 0.9022 |
69 | AZY | 0.9022 |
70 | SE5 | 0.9018 |
71 | QTS | 0.9013 |
72 | FUZ | 0.9010 |
73 | AUY | 0.9006 |
74 | C4F | 0.9004 |
75 | CH8 | 0.9002 |
76 | J9Y | 0.8998 |
77 | 3CX | 0.8997 |
78 | 0QV | 0.8996 |
79 | 6MW | 0.8990 |
80 | JF5 | 0.8987 |
81 | YOF | 0.8979 |
82 | N2Y | 0.8975 |
83 | RCV | 0.8973 |
84 | SQV | 0.8973 |
85 | KYN | 0.8965 |
86 | 848 | 0.8962 |
87 | JPQ | 0.8960 |
88 | HX8 | 0.8955 |
89 | TIZ | 0.8954 |
90 | 2KU | 0.8952 |
91 | S7D | 0.8950 |
92 | 0QA | 0.8947 |
93 | TOH | 0.8946 |
94 | DCN | 0.8945 |
95 | 1YO | 0.8945 |
96 | D1Y | 0.8945 |
97 | BC3 | 0.8943 |
98 | ONZ | 0.8942 |
99 | 9F5 | 0.8931 |
100 | TPM | 0.8930 |
101 | 5KJ | 0.8929 |
102 | BZQ | 0.8926 |
103 | NKI | 0.8926 |
104 | 9E3 | 0.8926 |
105 | 9PL | 0.8922 |
106 | DE7 | 0.8921 |
107 | 22F | 0.8915 |
108 | S0I | 0.8914 |
109 | RE4 | 0.8912 |
110 | RDM | 0.8911 |
111 | C6Z | 0.8910 |
112 | ZIP | 0.8907 |
113 | QH3 | 0.8907 |
114 | JGY | 0.8905 |
115 | KWB | 0.8904 |
116 | DBE | 0.8903 |
117 | YIE | 0.8903 |
118 | 2LT | 0.8901 |
119 | 4VT | 0.8899 |
120 | B1T | 0.8897 |
121 | GZV | 0.8896 |
122 | XQI | 0.8895 |
123 | 6C4 | 0.8895 |
124 | JCQ | 0.8894 |
125 | YIP | 0.8892 |
126 | 9VQ | 0.8885 |
127 | KPV | 0.8884 |
128 | 8OE | 0.8884 |
129 | WL3 | 0.8881 |
130 | 2JX | 0.8880 |
131 | P93 | 0.8880 |
132 | 96Z | 0.8877 |
133 | 1BN | 0.8874 |
134 | 8CV | 0.8867 |
135 | HVE | 0.8867 |
136 | BZM | 0.8864 |
137 | DCZ | 0.8861 |
138 | M02 | 0.8861 |
139 | 9BF | 0.8860 |
140 | BDJ | 0.8849 |
141 | 4Z9 | 0.8849 |
142 | M01 | 0.8849 |
143 | 0FR | 0.8848 |
144 | AX8 | 0.8843 |
145 | 5WN | 0.8837 |
146 | 5TO | 0.8836 |
147 | WA2 | 0.8833 |
148 | 4WF | 0.8829 |
149 | MBP | 0.8821 |
150 | MH5 | 0.8809 |
151 | RNK | 0.8803 |
152 | AHL | 0.8802 |
153 | D8Y | 0.8801 |
154 | V15 | 0.8797 |
155 | TYP | 0.8797 |
156 | 6NZ | 0.8795 |
157 | Z70 | 0.8793 |
158 | 3IB | 0.8790 |
159 | ASE | 0.8779 |
160 | Q5M | 0.8779 |
161 | T07 | 0.8777 |
162 | BB4 | 0.8777 |
163 | HWH | 0.8776 |
164 | YIH | 0.8776 |
165 | 6FG | 0.8775 |
166 | E9S | 0.8774 |
167 | B41 | 0.8773 |
168 | SB7 | 0.8768 |
169 | M6H | 0.8768 |
170 | CQW | 0.8765 |
171 | 5PV | 0.8764 |
172 | 5ER | 0.8763 |
173 | DFL | 0.8762 |
174 | JE7 | 0.8760 |
175 | 5JT | 0.8758 |
176 | LDC | 0.8750 |
177 | TIA | 0.8748 |
178 | N9M | 0.8745 |
179 | X2M | 0.8744 |
180 | DDC | 0.8742 |
181 | 5O5 | 0.8741 |
182 | E9P | 0.8740 |
183 | AC2 | 0.8735 |
184 | 4P8 | 0.8727 |
185 | ING | 0.8726 |
186 | 8OB | 0.8726 |
187 | DNB | 0.8723 |
188 | BZS | 0.8722 |
189 | 9B3 | 0.8719 |
190 | XRS | 0.8719 |
191 | H48 | 0.8712 |
192 | 6J5 | 0.8711 |
193 | L21 | 0.8708 |
194 | LQG | 0.8706 |
195 | NPA | 0.8705 |
196 | M77 | 0.8703 |
197 | 4Z1 | 0.8701 |
198 | XOG | 0.8697 |
199 | FB4 | 0.8696 |
200 | B2K | 0.8694 |
201 | UN4 | 0.8693 |
202 | A6H | 0.8692 |
203 | 4Y2 | 0.8691 |
204 | BSV | 0.8690 |
205 | RP5 | 0.8684 |
206 | RDY | 0.8684 |
207 | F91 | 0.8682 |
208 | PE2 | 0.8681 |
209 | KUP | 0.8678 |
210 | TA6 | 0.8674 |
211 | NIP | 0.8673 |
212 | 6Q3 | 0.8673 |
213 | 5V0 | 0.8669 |
214 | 5AV | 0.8664 |
215 | 0XR | 0.8664 |
216 | IQP | 0.8662 |
217 | JA3 | 0.8658 |
218 | DA3 | 0.8656 |
219 | NIR | 0.8655 |
220 | PQV | 0.8654 |
221 | RLG | 0.8654 |
222 | 6L6 | 0.8652 |
223 | ML1 | 0.8651 |
224 | 39Z | 0.8646 |
225 | TCW | 0.8643 |
226 | G6P | 0.8633 |
227 | SB9 | 0.8631 |
228 | XEN | 0.8628 |
229 | CHQ | 0.8628 |
230 | 4OG | 0.8610 |
231 | 0RY | 0.8599 |
232 | GXG | 0.8596 |
233 | F1X | 0.8587 |
234 | 6FR | 0.8586 |
235 | STV | 0.8585 |
236 | 6IP | 0.8579 |
237 | 0QX | 0.8578 |
238 | 69K | 0.8578 |
239 | GXD | 0.8572 |
240 | RGG | 0.8571 |
241 | HAR | 0.8559 |
242 | 7W7 | 0.8551 |
This union binding pocket(no: 1) in the query (biounit: 6w7f.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6w7f.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |