- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 6 families. | |||||
1 | 5EEN | - | 5OG | C15 H14 N2 O4 S | c1ccc(cc1).... |
2 | 5EFH | Ki = 0.8 uM | FKS | C10 H21 F3 N2 O2 | C(CCC(C(F).... |
3 | 6Q0Z | - | P7V | C10 H7 Br N2 O3 | c1cc(ccc1c.... |
4 | 5EEK | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
5 | 6PZS | - | P7J | C18 H26 N2 O2 | CC1([C@@H].... |
6 | 6PZU | - | A6I | C25 H32 N4 O6 | C[C@@H](C(.... |
7 | 6CSQ | Kd = 410 nM | F9P | C7 H13 N O2 | C1CCC(CC1).... |
8 | 5WGK | - | AGJ | C18 H20 N2 O4 | c1ccc(cc1).... |
9 | 5EFN | - | ARG GLY 5OL MCM | n/a | n/a |
10 | 6R0K | ic50 = 12 nM | JNN | C13 H11 Cl2 N3 O4 | c1cc(c(cc1.... |
11 | 5EEI | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
12 | 6CSS | Kd = 25 nM | FBJ | C6 H9 N O2 | C1CC=C(C1).... |
13 | 6CGP | ic50 = 0.058 uM | F1Y | C17 H18 N4 O2 | CCCc1c(n2c.... |
14 | 6V7A | ic50 = 264.4 nM | QQG | C21 H25 N3 O2 | CN1CC2(CCN.... |
15 | 5WGL | - | AH4 | C24 H27 N5 O3 | c1ccc(cc1).... |
16 | 6CSP | Kd = 3 nM | FBM | C7 H11 N O2 | C1CCC(=CC1.... |
17 | 5WGI | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
18 | 6PZO | - | P6Y | C15 H12 F3 N3 O3 | c1cc(c(nc1.... |
19 | 6DVM | ic50 = 3 nM | HBJ | C26 H28 N4 O4 | Cc1ccc(cc1.... |
20 | 6CSR | Kd = 144 nM | BHO | C7 H7 N O2 | c1ccc(cc1).... |
21 | 5EFK | - | SER ASP ALY MCM | n/a | n/a |
22 | 6PYE | ic50 = 0.03 uM | P5Y | C25 H21 F3 N6 O3 | c1ccc(cc1).... |
23 | 6DVO | ic50 = 60 nM | HBV | C20 H27 F N2 O2 | CN(Cc1ccc(.... |
24 | 6DVL | ic50 = 11 nM | HBG | C25 H31 N3 O4 | Cc1cc(cc(c.... |
25 | 5EFJ | Ki = 0.35 uM | 5OM DPR ALA DAL | n/a | n/a |
26 | 6PZR | - | P7D | C16 H19 N3 O4 S | CN(C)Cc1cc.... |
27 | 6DVN | ic50 = 14 nM | HB7 | C26 H28 N4 O4 | CN(C)c1ccc.... |
28 | 5EF7 | Ki = 1 nM | 5OJ | C17 H18 N2 O4 | c1ccc(cc1).... |
29 | 5WGM | - | AH7 | C17 H18 F2 N4 O2 | c1ccc(cc1).... |
30 | 6VNR | - | R5G | C17 H15 N3 O4 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5EEN | - | 5OG | C15 H14 N2 O4 S | c1ccc(cc1).... |
2 | 5EFH | Ki = 0.8 uM | FKS | C10 H21 F3 N2 O2 | C(CCC(C(F).... |
3 | 6Q0Z | - | P7V | C10 H7 Br N2 O3 | c1cc(ccc1c.... |
4 | 5EEK | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
5 | 6PZS | - | P7J | C18 H26 N2 O2 | CC1([C@@H].... |
6 | 6PZU | - | A6I | C25 H32 N4 O6 | C[C@@H](C(.... |
7 | 6CSQ | Kd = 410 nM | F9P | C7 H13 N O2 | C1CCC(CC1).... |
8 | 5WGK | - | AGJ | C18 H20 N2 O4 | c1ccc(cc1).... |
9 | 5EFN | - | ARG GLY 5OL MCM | n/a | n/a |
10 | 6R0K | ic50 = 12 nM | JNN | C13 H11 Cl2 N3 O4 | c1cc(c(cc1.... |
11 | 5EEI | - | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
12 | 6CSS | Kd = 25 nM | FBJ | C6 H9 N O2 | C1CC=C(C1).... |
13 | 6CGP | ic50 = 0.058 uM | F1Y | C17 H18 N4 O2 | CCCc1c(n2c.... |
14 | 6V7A | ic50 = 264.4 nM | QQG | C21 H25 N3 O2 | CN1CC2(CCN.... |
15 | 5WGL | - | AH4 | C24 H27 N5 O3 | c1ccc(cc1).... |
16 | 6CSP | Kd = 3 nM | FBM | C7 H11 N O2 | C1CCC(=CC1.... |
17 | 5WGI | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
18 | 6PZO | - | P6Y | C15 H12 F3 N3 O3 | c1cc(c(nc1.... |
19 | 6DVM | ic50 = 3 nM | HBJ | C26 H28 N4 O4 | Cc1ccc(cc1.... |
20 | 6CSR | Kd = 144 nM | BHO | C7 H7 N O2 | c1ccc(cc1).... |
21 | 5EFK | - | SER ASP ALY MCM | n/a | n/a |
22 | 6PYE | ic50 = 0.03 uM | P5Y | C25 H21 F3 N6 O3 | c1ccc(cc1).... |
23 | 6DVO | ic50 = 60 nM | HBV | C20 H27 F N2 O2 | CN(Cc1ccc(.... |
24 | 6DVL | ic50 = 11 nM | HBG | C25 H31 N3 O4 | Cc1cc(cc(c.... |
25 | 5EFJ | Ki = 0.35 uM | 5OM DPR ALA DAL | n/a | n/a |
26 | 6PZR | - | P7D | C16 H19 N3 O4 S | CN(C)Cc1cc.... |
27 | 6DVN | ic50 = 14 nM | HB7 | C26 H28 N4 O4 | CN(C)c1ccc.... |
28 | 5EF7 | Ki = 1 nM | 5OJ | C17 H18 N2 O4 | c1ccc(cc1).... |
29 | 5WGM | - | AH7 | C17 H18 F2 N4 O2 | c1ccc(cc1).... |
30 | 6VNR | - | R5G | C17 H15 N3 O4 | c1cc(ccc1C.... |
31 | 6UO5 | - | QCP | C18 H20 N2 O3 | CC(C)[C@@H.... |
32 | 6UO2 | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
33 | 6UO7 | - | QCP | C18 H20 N2 O3 | CC(C)[C@@H.... |
34 | 6UO4 | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
35 | 6UOC | - | QCM | C24 H27 N3 O4 | CCN(CC)Cc1.... |
36 | 6UOB | - | P7D | C16 H19 N3 O4 S | CN(C)Cc1cc.... |
37 | 5G0G | ic50 = 5.45 nM | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
38 | 5EEF | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
39 | 6WYQ | - | UFJ | C14 H19 I N2 O3 | c1cc(ccc1N.... |
40 | 6UO3 | - | QCP | C18 H20 N2 O3 | CC(C)[C@@H.... |
41 | 6WYP | - | UFS | C27 H31 N3 O5 | C#CCCCC(=O.... |
42 | 6WYO | - | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
43 | 3ZNS | Ki = 0.039 uM | NU7 | C26 H24 F3 N5 O2 S | CN1CCC(CC1.... |
44 | 3C0Z | ic50 = 113 uM | SHH | C14 H20 N2 O3 | c1ccc(cc1).... |
45 | 3C10 | ic50 = 0.3 uM | TSN | C17 H22 N2 O3 | C[C@H](C=C.... |
46 | 3ZNR | Ki = 0.036 uM | NU9 | C25 H21 F3 N4 O3 S | c1ccc(cc1).... |
47 | 2VQM | ic50 = 978 nM | HA3 | C18 H16 N4 O3 S | c1ccc(cc1).... |
48 | 6FYZ | Kd = 0.039 uM | EBE | C19 H16 F N3 O2 | Cc1ncc(cn1.... |
49 | 2VQQ | ic50 = 367 nM | TFG | C19 H16 F3 N3 O3 S | c1ccc(cc1).... |
50 | 2VQJ | - | TFG | C19 H16 F3 N3 O3 S | c1ccc(cc1).... |
51 | 2VQO | ic50 = 317 nM | TFG | C19 H16 F3 N3 O3 S | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | A9B | 1.0000 |
2 | M4N | 0.9607 |
3 | G14 | 0.9570 |
4 | ZZA | 0.9526 |
5 | 7G2 | 0.9489 |
6 | 7KE | 0.9488 |
7 | 3VQ | 0.9477 |
8 | 8CC | 0.9461 |
9 | YE6 | 0.9439 |
10 | NK5 | 0.9432 |
11 | 5H6 | 0.9410 |
12 | RF2 | 0.9401 |
13 | 1XS | 0.9361 |
14 | KLE | 0.9342 |
15 | 5C1 | 0.9339 |
16 | NKI | 0.9339 |
17 | D1G | 0.9337 |
18 | 7FU | 0.9336 |
19 | 5VU | 0.9335 |
20 | JMG | 0.9334 |
21 | ODK | 0.9334 |
22 | D2G | 0.9323 |
23 | D25 | 0.9319 |
24 | 5TT | 0.9315 |
25 | L03 | 0.9308 |
26 | 0UL | 0.9278 |
27 | A6W | 0.9276 |
28 | 27K | 0.9269 |
29 | 6MW | 0.9257 |
30 | FHV | 0.9253 |
31 | 90G | 0.9249 |
32 | KWV | 0.9247 |
33 | 397 | 0.9247 |
34 | 8YH | 0.9242 |
35 | D26 | 0.9241 |
36 | MKN | 0.9235 |
37 | 0NX | 0.9235 |
38 | 0K7 | 0.9231 |
39 | A73 | 0.9222 |
40 | AJ1 | 0.9203 |
41 | 4FF | 0.9202 |
42 | BVS | 0.9196 |
43 | L1T | 0.9196 |
44 | S0D | 0.9196 |
45 | X6W | 0.9190 |
46 | MMJ | 0.9183 |
47 | B1J | 0.9175 |
48 | 4AU | 0.9174 |
49 | 8D6 | 0.9168 |
50 | RGK | 0.9162 |
51 | KLS | 0.9159 |
52 | E3X | 0.9150 |
53 | PUE | 0.9141 |
54 | 272 | 0.9135 |
55 | HH6 | 0.9132 |
56 | 20D | 0.9128 |
57 | EES | 0.9118 |
58 | G2V | 0.9113 |
59 | 6H2 | 0.9109 |
60 | 4HB | 0.9109 |
61 | S45 | 0.9107 |
62 | 5TO | 0.9106 |
63 | 78Y | 0.9097 |
64 | AD6 | 0.9095 |
65 | 08C | 0.9087 |
66 | 2D2 | 0.9085 |
67 | 1UZ | 0.9083 |
68 | 20N | 0.9079 |
69 | WLH | 0.9074 |
70 | TCR | 0.9072 |
71 | 27F | 0.9071 |
72 | RA7 | 0.9066 |
73 | J38 | 0.9063 |
74 | A5H | 0.9054 |
75 | 47V | 0.9051 |
76 | LR8 | 0.9050 |
77 | C4E | 0.9049 |
78 | RKV | 0.9048 |
79 | 7O4 | 0.9048 |
80 | 6C5 | 0.9045 |
81 | 0ON | 0.9040 |
82 | 28A | 0.9035 |
83 | FCD | 0.9035 |
84 | 2PK | 0.9034 |
85 | JF5 | 0.9031 |
86 | YZ9 | 0.9026 |
87 | JCZ | 0.9026 |
88 | 6P3 | 0.9024 |
89 | M78 | 0.9024 |
90 | 9NB | 0.9023 |
91 | A63 | 0.9022 |
92 | CR4 | 0.9022 |
93 | 1V1 | 0.9020 |
94 | CIU | 0.9018 |
95 | YE7 | 0.9018 |
96 | 2PV | 0.9018 |
97 | 5WK | 0.9017 |
98 | BMZ | 0.9011 |
99 | 613 | 0.9007 |
100 | HHB | 0.9005 |
101 | HRD | 0.9004 |
102 | IPJ | 0.9003 |
103 | 5E5 | 0.8998 |
104 | SJR | 0.8993 |
105 | EV2 | 0.8990 |
106 | 25F | 0.8988 |
107 | DFL | 0.8987 |
108 | II4 | 0.8986 |
109 | UN3 | 0.8981 |
110 | 2FX | 0.8975 |
111 | 0DF | 0.8975 |
112 | SNJ | 0.8972 |
113 | 4UM | 0.8970 |
114 | DBE | 0.8970 |
115 | 60L | 0.8966 |
116 | QIV | 0.8964 |
117 | AJG | 0.8963 |
118 | 120 | 0.8961 |
119 | 7MW | 0.8960 |
120 | D8Q | 0.8958 |
121 | SSY | 0.8957 |
122 | PIQ | 0.8954 |
123 | 1Q2 | 0.8952 |
124 | LIG | 0.8951 |
125 | 363 | 0.8951 |
126 | LL1 | 0.8951 |
127 | NIF | 0.8949 |
128 | 6FG | 0.8947 |
129 | J1K | 0.8945 |
130 | 801 | 0.8944 |
131 | 2JX | 0.8944 |
132 | HDI | 0.8942 |
133 | SWX | 0.8941 |
134 | A9E | 0.8941 |
135 | 6C8 | 0.8937 |
136 | XCG | 0.8936 |
137 | 9JT | 0.8935 |
138 | Y3L | 0.8931 |
139 | VC3 | 0.8928 |
140 | TID | 0.8927 |
141 | 5F8 | 0.8922 |
142 | 135 | 0.8917 |
143 | 4FC | 0.8913 |
144 | L02 | 0.8909 |
145 | D9Z | 0.8906 |
146 | GVY | 0.8904 |
147 | 1Q1 | 0.8901 |
148 | 39R | 0.8901 |
149 | NDD | 0.8901 |
150 | 1EB | 0.8901 |
151 | PRL | 0.8900 |
152 | LZ5 | 0.8899 |
153 | 5TZ | 0.8899 |
154 | IDZ | 0.8898 |
155 | PQM | 0.8897 |
156 | 795 | 0.8896 |
157 | D3G | 0.8895 |
158 | SZ5 | 0.8893 |
159 | 122 | 0.8893 |
160 | F40 | 0.8892 |
161 | 52F | 0.8892 |
162 | LR2 | 0.8890 |
163 | 3F4 | 0.8889 |
164 | GO2 | 0.8888 |
165 | A8D | 0.8887 |
166 | VGS | 0.8885 |
167 | K7H | 0.8880 |
168 | FZM | 0.8876 |
169 | 5FL | 0.8875 |
170 | EAE | 0.8873 |
171 | 1AJ | 0.8873 |
172 | HNT | 0.8872 |
173 | VFJ | 0.8868 |
174 | ESJ | 0.8865 |
175 | 2P3 | 0.8858 |
176 | LC1 | 0.8857 |
177 | SO7 | 0.8856 |
178 | SX2 | 0.8855 |
179 | HRM | 0.8853 |
180 | MD6 | 0.8852 |
181 | FZ0 | 0.8852 |
182 | NVS | 0.8850 |
183 | 6FB | 0.8850 |
184 | 124 | 0.8849 |
185 | CT0 | 0.8848 |
186 | 833 | 0.8848 |
187 | S7S | 0.8847 |
188 | Z3R | 0.8845 |
189 | JA5 | 0.8844 |
190 | MBT | 0.8840 |
191 | J84 | 0.8838 |
192 | 49P | 0.8835 |
193 | PZX | 0.8834 |
194 | 6SD | 0.8831 |
195 | TRP | 0.8831 |
196 | XI7 | 0.8829 |
197 | A7H | 0.8826 |
198 | 1HP | 0.8825 |
199 | C0V | 0.8823 |
200 | CBE | 0.8823 |
201 | 3C5 | 0.8820 |
202 | 121 | 0.8820 |
203 | JGY | 0.8818 |
204 | 5O6 | 0.8817 |
205 | 1OT | 0.8815 |
206 | 2J1 | 0.8808 |
207 | 4I8 | 0.8808 |
208 | VFM | 0.8805 |
209 | 0NJ | 0.8805 |
210 | J3B | 0.8803 |
211 | U4J | 0.8803 |
212 | 8V8 | 0.8796 |
213 | LWA | 0.8793 |
214 | 2L1 | 0.8786 |
215 | ERZ | 0.8786 |
216 | FMH | 0.8785 |
217 | JVD | 0.8781 |
218 | PQV | 0.8781 |
219 | 1FE | 0.8778 |
220 | 9FH | 0.8778 |
221 | SQG | 0.8777 |
222 | 492 | 0.8776 |
223 | JAH | 0.8773 |
224 | I2E | 0.8772 |
225 | A05 | 0.8771 |
226 | 0MB | 0.8771 |
227 | D1Y | 0.8770 |
228 | FMQ | 0.8763 |
229 | TJM | 0.8762 |
230 | ZEA | 0.8762 |
231 | 2OX | 0.8759 |
232 | 1R5 | 0.8756 |
233 | LJ5 | 0.8755 |
234 | 62D | 0.8754 |
235 | NAL | 0.8746 |
236 | NPX | 0.8745 |
237 | 0LO | 0.8745 |
238 | HL6 | 0.8742 |
239 | GHQ | 0.8737 |
240 | OLU | 0.8736 |
241 | ITE | 0.8732 |
242 | VM1 | 0.8731 |
243 | 4G2 | 0.8730 |
244 | SOJ | 0.8729 |
245 | J2N | 0.8727 |
246 | P4L | 0.8724 |
247 | 90M | 0.8721 |
248 | VFG | 0.8720 |
249 | A5Q | 0.8717 |
250 | GB5 | 0.8711 |
251 | 0XR | 0.8709 |
252 | 4CN | 0.8709 |
253 | BXS | 0.8706 |
254 | 80G | 0.8701 |
255 | PQS | 0.8701 |
256 | 5SJ | 0.8699 |
257 | N4E | 0.8697 |
258 | NY4 | 0.8695 |
259 | 5ZM | 0.8693 |
260 | 3SU | 0.8691 |
261 | 5OR | 0.8689 |
262 | AO | 0.8685 |
263 | 5M2 | 0.8683 |
264 | IOP | 0.8683 |
265 | EQW | 0.8683 |
266 | EWG | 0.8683 |
267 | V2Z | 0.8683 |
268 | 7EH | 0.8680 |
269 | 5B2 | 0.8680 |
270 | Q9T | 0.8679 |
271 | KWD | 0.8673 |
272 | SNV | 0.8664 |
273 | TEF | 0.8664 |
274 | NPS | 0.8663 |
275 | 6ZX | 0.8661 |
276 | EZL | 0.8659 |
277 | 3CX | 0.8654 |
278 | OJD | 0.8652 |
279 | S0A | 0.8650 |
280 | OQC | 0.8647 |
281 | 2QC | 0.8643 |
282 | S8G | 0.8642 |
283 | JCQ | 0.8641 |
284 | GB4 | 0.8641 |
285 | 22T | 0.8636 |
286 | 11X | 0.8634 |
287 | E42 | 0.8632 |
288 | SU9 | 0.8631 |
289 | S98 | 0.8629 |
290 | WF4 | 0.8627 |
291 | 2GQ | 0.8626 |
292 | LFQ | 0.8622 |
293 | 92G | 0.8619 |
294 | MGB | 0.8618 |
295 | RCV | 0.8618 |
296 | AZM | 0.8608 |
297 | KYN | 0.8606 |
298 | IWT | 0.8600 |
299 | AWE | 0.8599 |
300 | 4ZF | 0.8599 |
301 | S62 | 0.8597 |
302 | 5ER | 0.8595 |
303 | A6Z | 0.8592 |
304 | 3XH | 0.8591 |
305 | U55 | 0.8590 |
306 | YIP | 0.8588 |
307 | E9S | 0.8587 |
308 | U7E | 0.8580 |
309 | 1PS | 0.8577 |
310 | S60 | 0.8577 |
311 | KW7 | 0.8570 |
312 | BZQ | 0.8567 |
313 | OA1 | 0.8558 |
314 | FT6 | 0.8550 |
315 | CX4 | 0.8547 |
316 | JVB | 0.8547 |
317 | 3S9 | 0.8541 |
318 | BVA | 0.8536 |
319 | EQA | 0.8534 |
320 | LEL | 0.8528 |
321 | BZM | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 5ef7.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ef7.bio2) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |