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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 7 families. | |||||
1 | 1FJ4 | Kd = 26 uM | TLM | C11 H14 O2 S | CC1=C([C@@.... |
2 | 2AQ7 | ic50 = 500 uM | TL5 | C12 H16 O2 S | CC=CC(=C[C.... |
3 | 2VB8 | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
4 | 2AQB | ic50 = 500 uM | TL6 | C10 H12 O2 S | CC1=C([C@@.... |
5 | 2VBA | Kd = 25 uM | P4T | C12 H12 N2 O S | Cc1c(sc(n1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5W2P | - | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
2 | 4C71 | Ki = 384 uM | 7RD | C14 H19 N3 O2 S | C/C(=C[C@@.... |
3 | 4C6W | - | M7U | C38 H75 O8 P | CCCCCCCCCC.... |
4 | 6P9K | - | O6G | C14 H17 N3 O2 S | CCCCS(=O)(.... |
5 | 5LD8 | Kd = 9 nM | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
6 | 4C72 | Ki = 8.2 uM | TLG | C12 H14 O3 S | C/C(=C/[C@.... |
7 | 5W2S | - | KMG | C12 H17 N3 O2 S | CCCCS(=O)(.... |
8 | 4C6U | Kd = 25.6 uM | TLG | C12 H14 O3 S | C/C(=C/[C@.... |
9 | 4C6X | Ki = 175.4 uM | TLM | C11 H14 O2 S | CC1=C([C@@.... |
10 | 6P9M | - | O6J | C15 H19 N3 O2 S | CCCCCS(=O).... |
11 | 4C70 | Ki = 305 uM | TLJ | C13 H18 O2 S | CCCC1=C([C.... |
12 | 2WGG | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
13 | 2WGE | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
14 | 5W2O | - | TCE | C9 H15 O6 P | C(CP(CCC(=.... |
15 | 5W2Q | - | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
16 | 6P9L | - | JFX | C12 H16 F N3 O2 S | Cc1c2cc(cc.... |
17 | 4C73 | Ki = 12.1 uM | TLH | C12 H11 F3 O3 S | C/C(=C[C@@.... |
18 | 4C6Z | Ki = 357 uM | TLE | C12 H16 O2 S | CCC1=C([C@.... |
19 | 3G11 | - | P9C | C30 H33 N O7 | C[C@]12C[C.... |
20 | 3I8P | ic50 = 19 nM | 840 | C24 H25 N O8 | C[C@@]1([C.... |
21 | 3HO2 | ic50 = 113 nM | N32 | C24 H27 N O6 | C[C@@]1([C.... |
22 | 3HO9 | ic50 = 789 nM | N3A | C24 H27 N O7 | C[C@@]1([C.... |
23 | 4LS7 | - | 1X9 | C12 H17 N O3 | C/C=C/C/C=.... |
24 | 1FJ4 | Kd = 26 uM | TLM | C11 H14 O2 S | CC1=C([C@@.... |
25 | 2AQ7 | ic50 = 500 uM | TL5 | C12 H16 O2 S | CC=CC(=C[C.... |
26 | 2VB8 | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
27 | 2AQB | ic50 = 500 uM | TL6 | C10 H12 O2 S | CC1=C([C@@.... |
28 | 2VBA | Kd = 25 uM | P4T | C12 H12 N2 O S | Cc1c(sc(n1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | X1P | 0.9189 |
2 | 61M | 0.9133 |
3 | LNR | 0.9105 |
4 | 505 | 0.9102 |
5 | S8D | 0.9094 |
6 | DTR | 0.9091 |
7 | XYH | 0.9084 |
8 | 3C4 | 0.9083 |
9 | EXR | 0.9062 |
10 | QH3 | 0.9062 |
11 | YOF | 0.9061 |
12 | DHY | 0.9061 |
13 | DAH | 0.9059 |
14 | TZM | 0.9051 |
15 | MMS | 0.9033 |
16 | NHT | 0.9020 |
17 | KYN | 0.9013 |
18 | ASC | 0.9010 |
19 | 56D | 0.9001 |
20 | JF1 | 0.9000 |
21 | SBK | 0.8995 |
22 | 3IL | 0.8992 |
23 | CS2 | 0.8982 |
24 | GCO | 0.8962 |
25 | A3M | 0.8961 |
26 | H4E | 0.8961 |
27 | IOP | 0.8956 |
28 | CFA | 0.8951 |
29 | GC3 | 0.8949 |
30 | I2E | 0.8949 |
31 | C2Y | 0.8939 |
32 | JVA | 0.8937 |
33 | NB1 | 0.8937 |
34 | N9J | 0.8935 |
35 | PLR | 0.8933 |
36 | ALE | 0.8932 |
37 | HJH | 0.8930 |
38 | CMU | 0.8930 |
39 | HSX | 0.8924 |
40 | NGW | 0.8918 |
41 | NGT | 0.8918 |
42 | 67Y | 0.8917 |
43 | JRB | 0.8904 |
44 | GNW | 0.8901 |
45 | ARP | 0.8901 |
46 | LTN | 0.8895 |
47 | 2LT | 0.8890 |
48 | TRP | 0.8890 |
49 | 3AL | 0.8890 |
50 | AMQ | 0.8889 |
51 | 9F8 | 0.8889 |
52 | GLR | 0.8888 |
53 | 8XL | 0.8887 |
54 | PLP | 0.8884 |
55 | F1P | 0.8882 |
56 | 7Q1 | 0.8882 |
57 | HPT | 0.8881 |
58 | PPY | 0.8880 |
59 | 9UL | 0.8880 |
60 | RP5 | 0.8874 |
61 | KG1 | 0.8873 |
62 | XDK | 0.8872 |
63 | QUS | 0.8871 |
64 | OSB | 0.8861 |
65 | F34 | 0.8858 |
66 | CH8 | 0.8857 |
67 | B41 | 0.8856 |
68 | APS | 0.8855 |
69 | L21 | 0.8849 |
70 | SHI | 0.8848 |
71 | IYR | 0.8847 |
72 | 6J9 | 0.8845 |
73 | MJ5 | 0.8845 |
74 | PH3 | 0.8845 |
75 | PO6 | 0.8842 |
76 | DEW | 0.8840 |
77 | M1P | 0.8839 |
78 | CLU | 0.8837 |
79 | XQI | 0.8833 |
80 | IOS | 0.8832 |
81 | 4WF | 0.8831 |
82 | ICT | 0.8829 |
83 | F06 | 0.8827 |
84 | A6H | 0.8826 |
85 | S2P | 0.8824 |
86 | 5HY | 0.8824 |
87 | NQH | 0.8822 |
88 | FPL | 0.8821 |
89 | FWD | 0.8820 |
90 | NDG | 0.8820 |
91 | SDD | 0.8817 |
92 | LDP | 0.8816 |
93 | 069 | 0.8812 |
94 | TSS | 0.8804 |
95 | NVU | 0.8802 |
96 | G6P | 0.8801 |
97 | CWD | 0.8801 |
98 | FER | 0.8800 |
99 | GZ2 | 0.8799 |
100 | B40 | 0.8797 |
101 | K2Q | 0.8796 |
102 | SQV | 0.8796 |
103 | 1A7 | 0.8793 |
104 | MXD | 0.8792 |
105 | 42J | 0.8792 |
106 | 848 | 0.8790 |
107 | LL2 | 0.8789 |
108 | 1BN | 0.8787 |
109 | DXG | 0.8787 |
110 | PHE | 0.8781 |
111 | LIP | 0.8779 |
112 | BZQ | 0.8778 |
113 | AKG | 0.8774 |
114 | NAG | 0.8773 |
115 | HFA | 0.8771 |
116 | AM1 | 0.8771 |
117 | BWD | 0.8770 |
118 | EXD | 0.8769 |
119 | RLG | 0.8769 |
120 | ISD | 0.8764 |
121 | THM | 0.8764 |
122 | MPP | 0.8763 |
123 | IAC | 0.8761 |
124 | HNL | 0.8759 |
125 | B4O | 0.8759 |
126 | X48 | 0.8758 |
127 | TNX | 0.8756 |
128 | GRF | 0.8753 |
129 | BRH | 0.8753 |
130 | 9BF | 0.8752 |
131 | HL4 | 0.8749 |
132 | M6H | 0.8749 |
133 | 7QS | 0.8744 |
134 | STT | 0.8743 |
135 | M5E | 0.8743 |
136 | TB8 | 0.8736 |
137 | SOR | 0.8735 |
138 | NIY | 0.8734 |
139 | NFA | 0.8734 |
140 | LSQ | 0.8733 |
141 | 3RI | 0.8732 |
142 | DUR | 0.8732 |
143 | BPW | 0.8728 |
144 | CIY | 0.8726 |
145 | 3LJ | 0.8726 |
146 | FTV | 0.8724 |
147 | M6P | 0.8723 |
148 | PMP | 0.8723 |
149 | NGO | 0.8722 |
150 | DIR | 0.8722 |
151 | 3H2 | 0.8721 |
152 | 3B4 | 0.8720 |
153 | 3IP | 0.8720 |
154 | BP7 | 0.8719 |
155 | E1P | 0.8717 |
156 | 5JT | 0.8714 |
157 | 6HP | 0.8711 |
158 | PXP | 0.8711 |
159 | IWD | 0.8710 |
160 | 2UB | 0.8708 |
161 | HXY | 0.8707 |
162 | LYL | 0.8703 |
163 | BG6 | 0.8702 |
164 | ARG | 0.8702 |
165 | BGP | 0.8701 |
166 | N7I | 0.8698 |
167 | AAN | 0.8697 |
168 | HA5 | 0.8695 |
169 | BPY | 0.8695 |
170 | DCZ | 0.8694 |
171 | G1P | 0.8693 |
172 | 3QO | 0.8693 |
173 | AC2 | 0.8692 |
174 | S7G | 0.8691 |
175 | 1F1 | 0.8690 |
176 | TAG | 0.8688 |
177 | JF2 | 0.8684 |
178 | 6TZ | 0.8683 |
179 | DTY | 0.8683 |
180 | JV4 | 0.8679 |
181 | GDE | 0.8678 |
182 | 5NI | 0.8678 |
183 | BY5 | 0.8676 |
184 | 7WR | 0.8675 |
185 | SRO | 0.8672 |
186 | ABF | 0.8670 |
187 | MSR | 0.8669 |
188 | BNF | 0.8668 |
189 | AX3 | 0.8668 |
190 | GLO | 0.8667 |
191 | 45L | 0.8667 |
192 | CXH | 0.8667 |
193 | BM3 | 0.8662 |
194 | RUY | 0.8662 |
195 | IPD | 0.8660 |
196 | ENO | 0.8659 |
197 | 8VR | 0.8659 |
198 | LT1 | 0.8657 |
199 | N2Z | 0.8657 |
200 | E9P | 0.8656 |
201 | NPA | 0.8655 |
202 | DPN | 0.8655 |
203 | HWD | 0.8653 |
204 | 9R5 | 0.8652 |
205 | K3Q | 0.8651 |
206 | LJ3 | 0.8650 |
207 | PYU | 0.8649 |
208 | R1P | 0.8647 |
209 | PRA | 0.8642 |
210 | KTA | 0.8641 |
211 | M1Z | 0.8640 |
212 | SR1 | 0.8640 |
213 | 0OP | 0.8635 |
214 | GPM | 0.8635 |
215 | HJ8 | 0.8634 |
216 | P58 | 0.8633 |
217 | M3Q | 0.8633 |
218 | 4FP | 0.8630 |
219 | DQA | 0.8630 |
220 | N1E | 0.8630 |
221 | EYV | 0.8629 |
222 | A4V | 0.8629 |
223 | R2P | 0.8629 |
224 | M02 | 0.8629 |
225 | DHC | 0.8629 |
226 | CTE | 0.8625 |
227 | 268 | 0.8623 |
228 | 57O | 0.8622 |
229 | 3VX | 0.8622 |
230 | TYR | 0.8619 |
231 | C82 | 0.8619 |
232 | ICB | 0.8618 |
233 | EV0 | 0.8614 |
234 | PQT | 0.8613 |
235 | OTR | 0.8612 |
236 | GVG | 0.8612 |
237 | ZZZ | 0.8609 |
238 | QMS | 0.8606 |
239 | GLU | 0.8605 |
240 | BZE | 0.8599 |
241 | OHP | 0.8597 |
242 | YPN | 0.8590 |
243 | HQJ | 0.8590 |
244 | CIT | 0.8590 |
245 | 40F | 0.8582 |
246 | HCI | 0.8581 |
247 | DE3 | 0.8580 |
248 | 2K8 | 0.8578 |
249 | QIC | 0.8578 |
250 | 258 | 0.8569 |
251 | TYE | 0.8567 |
252 | NOK | 0.8567 |
253 | HHH | 0.8565 |
254 | NCT | 0.8564 |
255 | GFP | 0.8563 |
256 | CIP | 0.8562 |
257 | BNL | 0.8560 |
258 | ESI | 0.8557 |
259 | TYC | 0.8556 |
260 | PAC | 0.8556 |
261 | 5F5 | 0.8554 |
262 | TYL | 0.8552 |
263 | E7S | 0.8552 |
264 | 6NT | 0.8551 |
265 | UFV | 0.8548 |
266 | MIL | 0.8542 |
267 | JXQ | 0.8538 |
268 | MAJ | 0.8536 |
269 | ZYW | 0.8521 |
270 | DHK | 0.8509 |
This union binding pocket(no: 1) in the query (biounit: 2vba.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |