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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 20 families. | |||||
1 | 4MJR | Ki = 283 uM | 0LA | C15 H12 Cl N O2 | C[C@@H](c1.... |
2 | 4N94 | - | 2HO | C7 H5 F2 N O | c1cc(c(cc1.... |
3 | 4N98 | Ki = 280 uM | 4FC | C13 H9 F O2 | c1cc(ccc1c.... |
4 | 4N95 | - | 2HQ | C8 H4 Cl N O2 | c1cc2c(cc1.... |
5 | 4MJQ | Ki = 193 uM | 27R | C15 H12 Br N O3 | c1cc(c(c(c.... |
6 | 3D1E | - | THR LEU MET THR GLY GLN LEU GLY LEU PHE | n/a | n/a |
7 | 6FVM | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
8 | 3D1G | Ki ~ 10 uM | 322 | C14 H13 Br2 N O5 S2 | CCOc1cc(c(.... |
9 | 4K3O | Kd = 36.7 uM | ACE GLN ALA ASP LEU PHE | n/a | n/a |
10 | 4K3L | ic50 = 1.1 mM | ACE LEU PHE | n/a | n/a |
11 | 4N9A | Ki = 64 uM | 2J2 | C13 H12 Cl N O2 | c1cc2c(cc1.... |
12 | 4K3K | ic50 = 4.44 mM | SFK | C15 H21 N O3 | CC(C)CCC(=.... |
13 | 3D1F | - | SER GLU GLN VAL GLU LEU GLU PHE ASP 323 | n/a | n/a |
14 | 4K3M | Kd = 281.2 uM | ALA LEU ASP LEU PHE | n/a | n/a |
15 | 4K3R | Kd = 259.1 uM | ACE GLN LEU ASP LEU ALA | n/a | n/a |
16 | 4K3Q | Kd = 115.1 uM | ACE GLN LEU ASP ALA PHE | n/a | n/a |
17 | 4K3P | Kd = 1.6 uM | ACE GLN LEU ALA LEU PHE | n/a | n/a |
18 | 4N99 | Ki = 216 uM | 2J1 | C13 H12 Cl N O2 | c1c2c(cc(c.... |
19 | 4MJP | Ki = 131 uM | 27O | C19 H22 O2 | C[C@H](c1c.... |
20 | 6FVL | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
21 | 4N96 | - | 6NI | C7 H5 N3 O2 | c1cc2cn[nH.... |
22 | 4N97 | - | 2HU | C8 H6 N2 O2 | c1cc2c(cc[.... |
23 | 4TSZ | Kd = 99 nM | ACE GLN ALC ASP LEU ZCL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 4MJR | Ki = 283 uM | 0LA | C15 H12 Cl N O2 | C[C@@H](c1.... |
2 | 4N94 | - | 2HO | C7 H5 F2 N O | c1cc(c(cc1.... |
3 | 4N98 | Ki = 280 uM | 4FC | C13 H9 F O2 | c1cc(ccc1c.... |
4 | 4N95 | - | 2HQ | C8 H4 Cl N O2 | c1cc2c(cc1.... |
5 | 4MJQ | Ki = 193 uM | 27R | C15 H12 Br N O3 | c1cc(c(c(c.... |
6 | 3D1E | - | THR LEU MET THR GLY GLN LEU GLY LEU PHE | n/a | n/a |
7 | 6FVM | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
8 | 3D1G | Ki ~ 10 uM | 322 | C14 H13 Br2 N O5 S2 | CCOc1cc(c(.... |
9 | 4K3O | Kd = 36.7 uM | ACE GLN ALA ASP LEU PHE | n/a | n/a |
10 | 4K3L | ic50 = 1.1 mM | ACE LEU PHE | n/a | n/a |
11 | 4N9A | Ki = 64 uM | 2J2 | C13 H12 Cl N O2 | c1cc2c(cc1.... |
12 | 4K3K | ic50 = 4.44 mM | SFK | C15 H21 N O3 | CC(C)CCC(=.... |
13 | 3D1F | - | SER GLU GLN VAL GLU LEU GLU PHE ASP 323 | n/a | n/a |
14 | 4K3M | Kd = 281.2 uM | ALA LEU ASP LEU PHE | n/a | n/a |
15 | 4K3R | Kd = 259.1 uM | ACE GLN LEU ASP LEU ALA | n/a | n/a |
16 | 4K3Q | Kd = 115.1 uM | ACE GLN LEU ASP ALA PHE | n/a | n/a |
17 | 4K3P | Kd = 1.6 uM | ACE GLN LEU ALA LEU PHE | n/a | n/a |
18 | 4N99 | Ki = 216 uM | 2J1 | C13 H12 Cl N O2 | c1c2c(cc(c.... |
19 | 4MJP | Ki = 131 uM | 27O | C19 H22 O2 | C[C@H](c1c.... |
20 | 6FVL | - | ACE GLN ALC ASP LEU PHE | n/a | n/a |
21 | 4N96 | - | 6NI | C7 H5 N3 O2 | c1cc2cn[nH.... |
22 | 4N97 | - | 2HU | C8 H6 N2 O2 | c1cc2c(cc[.... |
23 | 4TSZ | Kd = 99 nM | ACE GLN ALC ASP LEU ZCL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0LA | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NPS | 0.9531 |
2 | T1N | 0.9335 |
3 | C0V | 0.9324 |
4 | NPX | 0.9194 |
5 | BFL | 0.9193 |
6 | RKY | 0.9168 |
7 | FLP | 0.9132 |
8 | JVD | 0.9114 |
9 | BXS | 0.9091 |
10 | 4UM | 0.9087 |
11 | K7H | 0.9086 |
12 | PIC | 0.9076 |
13 | 8V8 | 0.9074 |
14 | 1CE | 0.9073 |
15 | BX4 | 0.9047 |
16 | ADL | 0.9038 |
17 | EZL | 0.9037 |
18 | 22T | 0.9034 |
19 | 4CN | 0.9023 |
20 | 0OK | 0.8992 |
21 | 4HG | 0.8986 |
22 | H50 | 0.8979 |
23 | A8D | 0.8977 |
24 | 7EH | 0.8977 |
25 | 2J1 | 0.8975 |
26 | 5WK | 0.8973 |
27 | 1OT | 0.8965 |
28 | A6Z | 0.8965 |
29 | KWV | 0.8959 |
30 | JTK | 0.8952 |
31 | OLU | 0.8951 |
32 | M83 | 0.8947 |
33 | BIO | 0.8942 |
34 | A5Q | 0.8941 |
35 | BP5 | 0.8939 |
36 | 2L1 | 0.8935 |
37 | 7AP | 0.8932 |
38 | CT0 | 0.8928 |
39 | MPU | 0.8927 |
40 | 2WU | 0.8926 |
41 | GVI | 0.8913 |
42 | HMX | 0.8912 |
43 | TEF | 0.8909 |
44 | NAL | 0.8903 |
45 | 856 | 0.8894 |
46 | SYD | 0.8893 |
47 | HNT | 0.8893 |
48 | S98 | 0.8893 |
49 | LU2 | 0.8893 |
50 | 5XK | 0.8890 |
51 | 109 | 0.8888 |
52 | NEU | 0.8887 |
53 | 5TT | 0.8887 |
54 | CX6 | 0.8883 |
55 | 4ZW | 0.8879 |
56 | 5ER | 0.8877 |
57 | EST | 0.8877 |
58 | PRL | 0.8877 |
59 | 72G | 0.8875 |
60 | KLV | 0.8874 |
61 | NDD | 0.8870 |
62 | FY8 | 0.8867 |
63 | PTB | 0.8867 |
64 | BIH | 0.8865 |
65 | 7G2 | 0.8863 |
66 | EAE | 0.8859 |
67 | FCW | 0.8858 |
68 | C4F | 0.8856 |
69 | 1EB | 0.8852 |
70 | HBI | 0.8850 |
71 | RSV | 0.8850 |
72 | 120 | 0.8849 |
73 | 23M | 0.8847 |
74 | 0NJ | 0.8844 |
75 | 6P3 | 0.8842 |
76 | CX5 | 0.8840 |
77 | 4YE | 0.8840 |
78 | Z25 | 0.8840 |
79 | EV2 | 0.8838 |
80 | EEK | 0.8838 |
81 | 801 | 0.8837 |
82 | J2N | 0.8835 |
83 | D9Z | 0.8831 |
84 | J3B | 0.8830 |
85 | 802 | 0.8827 |
86 | 4ZF | 0.8826 |
87 | SDN | 0.8824 |
88 | 7FZ | 0.8819 |
89 | 8CC | 0.8819 |
90 | RDT | 0.8818 |
91 | SJK | 0.8815 |
92 | YZ9 | 0.8813 |
93 | 0J5 | 0.8810 |
94 | 6DH | 0.8810 |
95 | 6ZE | 0.8809 |
96 | AOI | 0.8808 |
97 | M3F | 0.8806 |
98 | 5SJ | 0.8806 |
99 | GJW | 0.8804 |
100 | 2L2 | 0.8804 |
101 | HRM | 0.8803 |
102 | 0J2 | 0.8802 |
103 | DT7 | 0.8798 |
104 | CR4 | 0.8798 |
105 | IXG | 0.8793 |
106 | H4B | 0.8789 |
107 | 68C | 0.8789 |
108 | NEO | 0.8788 |
109 | EQU | 0.8787 |
110 | 2OX | 0.8786 |
111 | 124 | 0.8784 |
112 | EES | 0.8783 |
113 | DT9 | 0.8782 |
114 | ESJ | 0.8781 |
115 | 72D | 0.8780 |
116 | BMZ | 0.8778 |
117 | G1L | 0.8773 |
118 | UN3 | 0.8771 |
119 | 5XM | 0.8766 |
120 | NK5 | 0.8765 |
121 | GJG | 0.8765 |
122 | BMC | 0.8764 |
123 | H2B | 0.8764 |
124 | PMM | 0.8757 |
125 | 3MI | 0.8756 |
126 | OA4 | 0.8755 |
127 | ZTW | 0.8755 |
128 | 47X | 0.8752 |
129 | 1Q1 | 0.8749 |
130 | WDW | 0.8747 |
131 | 0J4 | 0.8746 |
132 | Q9T | 0.8745 |
133 | WV7 | 0.8744 |
134 | CIU | 0.8744 |
135 | ZW2 | 0.8743 |
136 | F4U | 0.8742 |
137 | B61 | 0.8741 |
138 | IS2 | 0.8741 |
139 | 0FR | 0.8738 |
140 | E6Q | 0.8735 |
141 | W23 | 0.8735 |
142 | R18 | 0.8733 |
143 | JOB | 0.8731 |
144 | 2UV | 0.8730 |
145 | 17M | 0.8730 |
146 | FBC | 0.8729 |
147 | J1K | 0.8727 |
148 | 2P3 | 0.8725 |
149 | 0RY | 0.8725 |
150 | LVB | 0.8724 |
151 | OCZ | 0.8723 |
152 | 4YF | 0.8723 |
153 | KU1 | 0.8722 |
154 | C0E | 0.8721 |
155 | C1E | 0.8720 |
156 | 22M | 0.8720 |
157 | LUM | 0.8719 |
158 | 1XS | 0.8716 |
159 | 3WF | 0.8715 |
160 | L2K | 0.8715 |
161 | 5XL | 0.8715 |
162 | 397 | 0.8714 |
163 | 0SX | 0.8713 |
164 | X2M | 0.8712 |
165 | A26 | 0.8711 |
166 | 29F | 0.8711 |
167 | XYP XYP | 0.8708 |
168 | 92O | 0.8708 |
169 | ZSP | 0.8703 |
170 | QAD | 0.8700 |
171 | OUA | 0.8697 |
172 | 0DJ | 0.8697 |
173 | AQN | 0.8695 |
174 | 7PJ | 0.8693 |
175 | 334 | 0.8692 |
176 | 789 | 0.8688 |
177 | 2JX | 0.8687 |
178 | 9JT | 0.8687 |
179 | 7PS | 0.8687 |
180 | 0UL | 0.8686 |
181 | AJ1 | 0.8684 |
182 | 53N | 0.8683 |
183 | ESZ | 0.8683 |
184 | 9KZ | 0.8683 |
185 | ECS | 0.8681 |
186 | HMO | 0.8681 |
187 | GEN | 0.8681 |
188 | HRD | 0.8680 |
189 | QNM | 0.8678 |
190 | PB2 | 0.8678 |
191 | 6VW | 0.8678 |
192 | ZEA | 0.8675 |
193 | GW3 | 0.8674 |
194 | MR5 | 0.8673 |
195 | SJR | 0.8670 |
196 | 3VS | 0.8669 |
197 | D26 | 0.8669 |
198 | 39Z | 0.8667 |
199 | TJM | 0.8666 |
200 | MR4 | 0.8666 |
201 | HDI | 0.8666 |
202 | TID | 0.8666 |
203 | 39R | 0.8665 |
204 | 6T5 | 0.8665 |
205 | LC1 | 0.8664 |
206 | 1DR | 0.8661 |
207 | QBP | 0.8661 |
208 | XEV | 0.8659 |
209 | 5OR | 0.8656 |
210 | D25 | 0.8651 |
211 | OAL | 0.8649 |
212 | 47V | 0.8649 |
213 | 613 | 0.8648 |
214 | 5VU | 0.8647 |
215 | WLH | 0.8646 |
216 | 6FB | 0.8644 |
217 | QS4 | 0.8643 |
218 | FZ0 | 0.8643 |
219 | NRA | 0.8643 |
220 | AO | 0.8640 |
221 | NQ8 | 0.8636 |
222 | 657 | 0.8636 |
223 | 8Y7 | 0.8634 |
224 | 6DQ | 0.8634 |
225 | NAR | 0.8634 |
226 | 3QI | 0.8633 |
227 | NDR | 0.8630 |
228 | 1Q4 | 0.8630 |
229 | XAV | 0.8630 |
230 | AUG | 0.8629 |
231 | 0MB | 0.8628 |
232 | 4AB | 0.8628 |
233 | 8M5 | 0.8628 |
234 | HPK | 0.8627 |
235 | DHT | 0.8627 |
236 | X8I | 0.8627 |
237 | WA1 | 0.8627 |
238 | 1V8 | 0.8626 |
239 | C4E | 0.8623 |
240 | 52F | 0.8621 |
241 | AH6 | 0.8620 |
242 | S0D | 0.8619 |
243 | J3Z | 0.8618 |
244 | MR6 | 0.8617 |
245 | LRT | 0.8617 |
246 | XYS XYS | 0.8614 |
247 | D9T | 0.8612 |
248 | AV7 | 0.8612 |
249 | RF2 | 0.8609 |
250 | 2QU | 0.8606 |
251 | TMP | 0.8606 |
252 | 7G0 | 0.8605 |
253 | AVX | 0.8601 |
254 | GN5 | 0.8599 |
255 | HFS | 0.8598 |
256 | TKT | 0.8597 |
257 | 5E5 | 0.8594 |
258 | 205 | 0.8594 |
259 | WCU | 0.8594 |
260 | D1G | 0.8594 |
261 | ASD | 0.8592 |
262 | NIF | 0.8589 |
263 | I2E | 0.8588 |
264 | 1FL | 0.8587 |
265 | SNV | 0.8586 |
266 | PIQ | 0.8585 |
267 | S0J | 0.8582 |
268 | AOX | 0.8581 |
269 | S7D | 0.8581 |
270 | TES | 0.8573 |
271 | KLE | 0.8564 |
272 | 1R5 | 0.8562 |
273 | RYV | 0.8561 |
274 | JAH | 0.8561 |
275 | 3N1 | 0.8559 |
276 | 5SD | 0.8553 |
277 | ESL | 0.8548 |
278 | 5TU | 0.8546 |
279 | 5C1 | 0.8542 |
280 | U55 | 0.8525 |
281 | 4BX | 0.8517 |
282 | IIH | 0.8508 |
283 | AND | 0.8506 |
This union binding pocket(no: 1) in the query (biounit: 4k3p.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |