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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 17 families. | |||||
1 | 6F9U | - | D0W | C25 H33 N3 O10 | CC(=O)N[C@.... |
2 | 1UZF | - | MCO | C9 H15 N O3 S | C[C@H](CS).... |
3 | 3BKK | Ki = 0.83 uM | KAF | C28 H30 N2 O6 | c1ccc(cc1).... |
4 | 1O8A | - | NXA | C4 H7 N O4 | C[C@@H](C(.... |
5 | 2XY9 | Ki = 0.65 nM | 3ES | C38 H38 N3 O9 P | c1ccc(cc1).... |
6 | 3L3N | - | LSW | C27 H34 N4 O5 | c1ccc(cc1).... |
7 | 1UZE | - | EAL | C18 H24 N2 O5 | C[C@@H](C(.... |
8 | 6H5W | - | FT8 | C19 H24 N2 O4 S2 | c1ccc(cc1).... |
9 | 4BZR | - | K26 | C25 H34 N3 O8 P | CC[C@H](C).... |
10 | 4APH | Ki = 4 uM | ASP ARG VAL TYR ILE HIS PRO PHE | n/a | n/a |
11 | 2YDM | ic50 = 36.4 nM | SLC | C9 H13 N O3 Se | C=C(C[SeH].... |
12 | 1O86 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
13 | 6F9T | - | D0Z | C26 H40 N4 O9 S | CS(=O)(=O).... |
14 | 3BKL | Ki = 0.679 uM | KAW | C30 H31 N3 O6 | c1ccc(cc1).... |
15 | 4CA5 | Ki = 0.41 nM | 3EF | C38 H38 N3 O9 P | c1ccc(cc1).... |
16 | 4C2P | - | X8Z | C9 H15 N O3 S | C[C@H](CS).... |
17 | 2OC2 | Ki = 3 nM | RX3 | C33 H36 N3 O7 P | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5AMB | - | MET VAL GLY GLY VAL VAL ILE ALA | n/a | n/a |
2 | 4CA6 | Ki = 180 nM | 3EF | C38 H38 N3 O9 P | c1ccc(cc1).... |
3 | 2XYD | Ki = 150 nM | 3ES | C38 H38 N3 O9 P | c1ccc(cc1).... |
4 | 6TT1 | - | 1IU | C19 H29 N8 O5 P | C[C@H](CP(.... |
5 | 4BZS | Ki = 75 nM | K26 | C25 H34 N3 O8 P | CC[C@H](C).... |
6 | 5AMA | - | ASP SER | n/a | n/a |
7 | 6F9R | Ki = 10.6 uM | D0W | C25 H33 N3 O10 | CC(=O)N[C@.... |
8 | 6H5X | - | FT8 | C19 H24 N2 O4 S2 | c1ccc(cc1).... |
9 | 4UFB | - | LYS PRO | n/a | n/a |
10 | 3NXQ | - | RX4 | C21 H31 N4 O8 P | C[C@H](C[P.... |
11 | 6F9V | Ki = 171.9 nM | D0Z | C26 H40 N4 O9 S | CS(=O)(=O).... |
12 | 5AM9 | - | GLU VAL | n/a | n/a |
13 | 6TT4 | - | FT8 | C19 H24 N2 O4 S2 | c1ccc(cc1).... |
14 | 5AM8 | - | PHE ARG HIS ASP SER GLY TYR | n/a | n/a |
15 | 6TT3 | - | BJ2 | C18 H28 N4 O8 | C[C@@H](C(.... |
16 | 4BXK | Ki = 11.21 nM | 1IU | C19 H29 N8 O5 P | C[C@H](CP(.... |
17 | 6EN6 | Ki = 11.45 nM | BJ2 | C18 H28 N4 O8 | C[C@@H](C(.... |
18 | 6EN5 | Ki = 11.45 nM | BJ2 | C18 H28 N4 O8 | C[C@@H](C(.... |
19 | 4UFA | - | SAC ASP | n/a | n/a |
20 | 3ZQZ | - | SLC | C9 H13 N O3 Se | C=C(C[SeH].... |
21 | 2X8Z | Ki = 11 nM | X8Z | C9 H15 N O3 S | C[C@H](CS).... |
22 | 2X97 | Ki = 2200 nM | RX4 | C21 H31 N4 O8 P | C[C@H](C[P.... |
23 | 2X93 | - | X93 | C22 H30 N2 O5 | C[C@@H](C(.... |
24 | 1J36 | Ki = 18 nM | LPR | C21 H31 N3 O5 | c1ccc(cc1).... |
25 | 2X96 | Ki = 94 uM | RX3 | C33 H36 N3 O7 P | c1ccc(cc1).... |
26 | 5A2R | - | MLT | C4 H6 O5 | C([C@H](C(.... |
27 | 4AA1 | Ki = 76 uM | ASP ARG VAL TYR ILE HIS PRO PHE | n/a | n/a |
28 | 2X90 | - | EAL | C18 H24 N2 O5 | C[C@@H](C(.... |
29 | 2X92 | - | X92 | C21 H28 N2 O5 | C[C@@H](C(.... |
30 | 1J37 | Ki = 1.1 nM | X8Z | C9 H15 N O3 S | C[C@H](CS).... |
31 | 4CA8 | Ki = 120 nM | 3ES | C38 H38 N3 O9 P | c1ccc(cc1).... |
32 | 2X8Y | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
33 | 2X94 | - | X94 | C17 H28 N2 O5 | CCC[C@@H](.... |
34 | 4CA7 | Ki = 24 nM | 3EF | C38 H38 N3 O9 P | c1ccc(cc1).... |
35 | 4ASQ | - | ARG PRO PRO GLY PHE SER PRO PHE ARG | n/a | n/a |
36 | 2XHM | - | K26 | C25 H34 N3 O8 P | CC[C@H](C).... |
37 | 2X95 | - | X95 | C27 H34 N4 O5 | c1ccc(cc1).... |
38 | 4ASR | - | ARG PRO PRO GLY PHE THR PRO PHE ARG | n/a | n/a |
39 | 2X91 | Ki = 180 nM | LPR | C21 H31 N3 O5 | c1ccc(cc1).... |
40 | 6F9U | - | D0W | C25 H33 N3 O10 | CC(=O)N[C@.... |
41 | 1UZF | - | MCO | C9 H15 N O3 S | C[C@H](CS).... |
42 | 3BKK | Ki = 0.83 uM | KAF | C28 H30 N2 O6 | c1ccc(cc1).... |
43 | 1O8A | - | NXA | C4 H7 N O4 | C[C@@H](C(.... |
44 | 2XY9 | Ki = 0.65 nM | 3ES | C38 H38 N3 O9 P | c1ccc(cc1).... |
45 | 3L3N | - | LSW | C27 H34 N4 O5 | c1ccc(cc1).... |
46 | 1UZE | - | EAL | C18 H24 N2 O5 | C[C@@H](C(.... |
47 | 6H5W | - | FT8 | C19 H24 N2 O4 S2 | c1ccc(cc1).... |
48 | 4BZR | - | K26 | C25 H34 N3 O8 P | CC[C@H](C).... |
49 | 4APH | Ki = 4 uM | ASP ARG VAL TYR ILE HIS PRO PHE | n/a | n/a |
50 | 2YDM | ic50 = 36.4 nM | SLC | C9 H13 N O3 Se | C=C(C[SeH].... |
51 | 1O86 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
52 | 6F9T | - | D0Z | C26 H40 N4 O9 S | CS(=O)(=O).... |
53 | 3BKL | Ki = 0.679 uM | KAW | C30 H31 N3 O6 | c1ccc(cc1).... |
54 | 4CA5 | Ki = 0.41 nM | 3EF | C38 H38 N3 O9 P | c1ccc(cc1).... |
55 | 4C2P | - | X8Z | C9 H15 N O3 S | C[C@H](CS).... |
56 | 2OC2 | Ki = 3 nM | RX3 | C33 H36 N3 O7 P | c1ccc(cc1).... |
57 | 6S1Z | ic50 = 1.5 nM | KS8 | C23 H34 N O5 P | c1ccc(cc1).... |
58 | 6S1Y | - | KSN | C10 H16 N2 O7 | C(CC(=O)N[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ALA PRO | 0.9497 |
2 | GLY PRO | 0.9238 |
3 | FA3 | 0.9205 |
4 | EER | 0.9151 |
5 | SER PRO | 0.9113 |
6 | TVP | 0.9052 |
7 | AOS | 0.9046 |
8 | JTH | 0.9026 |
9 | EEO | 0.9023 |
10 | 3IT | 0.9010 |
11 | URC | 0.9006 |
12 | IPM | 0.8997 |
13 | V6F | 0.8977 |
14 | TAG | 0.8977 |
15 | E35 | 0.8936 |
16 | 4ME | 0.8932 |
17 | RAT | 0.8927 |
18 | ASC | 0.8927 |
19 | FA1 | 0.8922 |
20 | 4WK | 0.8914 |
21 | ZXD | 0.8911 |
22 | GCU | 0.8906 |
23 | ZZZ | 0.8902 |
24 | PH2 | 0.8893 |
25 | 3CU | 0.8892 |
26 | 8TX | 0.8887 |
27 | CCB | 0.8887 |
28 | 7FF | 0.8883 |
29 | VOH | 0.8883 |
30 | BDP | 0.8880 |
31 | HHR | 0.8866 |
32 | MAN | 0.8866 |
33 | 289 | 0.8864 |
34 | 8XQ | 0.8864 |
35 | ORO | 0.8862 |
36 | GC3 | 0.8857 |
37 | BMA | 0.8854 |
38 | NGO | 0.8853 |
39 | 1XA | 0.8853 |
40 | K5W | 0.8849 |
41 | ZZ2 | 0.8847 |
42 | K3Q | 0.8847 |
43 | YQA | 0.8839 |
44 | 6J9 | 0.8834 |
45 | DHK | 0.8832 |
46 | 3BU | 0.8828 |
47 | EV0 | 0.8826 |
48 | L99 | 0.8825 |
49 | 4VY | 0.8822 |
50 | A13 | 0.8820 |
51 | K3Y | 0.8818 |
52 | 293 | 0.8818 |
53 | 2FY | 0.8815 |
54 | HNQ | 0.8815 |
55 | AIN | 0.8814 |
56 | TT4 | 0.8809 |
57 | 3FH | 0.8808 |
58 | FLC | 0.8808 |
59 | EGR | 0.8808 |
60 | 67Y | 0.8805 |
61 | 23J | 0.8805 |
62 | 44V | 0.8804 |
63 | NGT | 0.8803 |
64 | 8NX | 0.8801 |
65 | 42C | 0.8800 |
66 | AX3 | 0.8799 |
67 | SER THR | 0.8798 |
68 | GLC | 0.8797 |
69 | GTR | 0.8794 |
70 | H6B | 0.8786 |
71 | 3RI | 0.8785 |
72 | 4AA | 0.8785 |
73 | B62 | 0.8782 |
74 | 2EC | 0.8779 |
75 | ICT | 0.8779 |
76 | IJZ | 0.8777 |
77 | 2AL | 0.8776 |
78 | 3AL | 0.8776 |
79 | R9Y | 0.8772 |
80 | D1X | 0.8771 |
81 | 8WT | 0.8771 |
82 | B55 | 0.8771 |
83 | CTS | 0.8768 |
84 | NAG | 0.8767 |
85 | JND | 0.8766 |
86 | 7ME | 0.8765 |
87 | FBU | 0.8765 |
88 | LNR | 0.8763 |
89 | DOR | 0.8760 |
90 | 5RO | 0.8757 |
91 | ADA | 0.8756 |
92 | XQI | 0.8752 |
93 | IFP | 0.8752 |
94 | 15L | 0.8750 |
95 | Q6T | 0.8749 |
96 | F34 | 0.8745 |
97 | GCO | 0.8745 |
98 | CIT | 0.8742 |
99 | REL | 0.8742 |
100 | ROI | 0.8738 |
101 | HL4 | 0.8736 |
102 | BGC | 0.8736 |
103 | GLF | 0.8735 |
104 | ALE | 0.8733 |
105 | 1AL | 0.8733 |
106 | EMZ | 0.8732 |
107 | PFL | 0.8732 |
108 | SWA | 0.8730 |
109 | G4D | 0.8730 |
110 | QUS | 0.8730 |
111 | EDR | 0.8729 |
112 | O2A | 0.8727 |
113 | 256 | 0.8724 |
114 | QX4 | 0.8723 |
115 | PA1 | 0.8723 |
116 | EOL | 0.8723 |
117 | NGW | 0.8723 |
118 | NDG | 0.8723 |
119 | GCB | 0.8721 |
120 | M02 | 0.8720 |
121 | 8WO | 0.8720 |
122 | XXG | 0.8719 |
123 | 3Y7 | 0.8718 |
124 | NCD | 0.8715 |
125 | FOT | 0.8714 |
126 | 6DP | 0.8712 |
127 | F12 | 0.8712 |
128 | DBH | 0.8711 |
129 | LDP | 0.8710 |
130 | M1Q | 0.8708 |
131 | EVA | 0.8707 |
132 | 4HC | 0.8703 |
133 | PZI | 0.8703 |
134 | L21 | 0.8703 |
135 | 5WY | 0.8703 |
136 | 3F0 | 0.8700 |
137 | VNL | 0.8700 |
138 | 3M0 | 0.8699 |
139 | BCK | 0.8699 |
140 | KW8 | 0.8699 |
141 | B2Y | 0.8696 |
142 | DQU | 0.8694 |
143 | 7Q1 | 0.8692 |
144 | A9O | 0.8692 |
145 | XAZ | 0.8691 |
146 | DEE | 0.8689 |
147 | 3MG | 0.8688 |
148 | 9DG | 0.8688 |
149 | 60Q | 0.8686 |
150 | AEH | 0.8686 |
151 | 55D | 0.8682 |
152 | 75K | 0.8680 |
153 | 8IG | 0.8679 |
154 | 7ZE | 0.8678 |
155 | GV9 | 0.8677 |
156 | Q88 | 0.8676 |
157 | 92P | 0.8675 |
158 | V55 | 0.8675 |
159 | SJ5 | 0.8674 |
160 | ASO | 0.8673 |
161 | SKM | 0.8669 |
162 | KJM | 0.8668 |
163 | DHB | 0.8666 |
164 | 6ME | 0.8665 |
165 | AS3 | 0.8662 |
166 | 4NG | 0.8662 |
167 | MO8 | 0.8661 |
168 | 4MU | 0.8661 |
169 | J01 | 0.8661 |
170 | BTY | 0.8660 |
171 | 6R8 | 0.8659 |
172 | 28N | 0.8659 |
173 | 4TU | 0.8658 |
174 | VXX | 0.8658 |
175 | CN0 | 0.8657 |
176 | J9T | 0.8657 |
177 | A9P | 0.8656 |
178 | PDC | 0.8655 |
179 | INE | 0.8653 |
180 | JXZ | 0.8652 |
181 | B2J | 0.8652 |
182 | LYL | 0.8652 |
183 | 4XV | 0.8651 |
184 | 7N0 | 0.8651 |
185 | FOC | 0.8651 |
186 | QBS | 0.8649 |
187 | C2Y | 0.8648 |
188 | RM1 | 0.8648 |
189 | MNM | 0.8648 |
190 | 12T | 0.8647 |
191 | MIC | 0.8644 |
192 | SXS | 0.8644 |
193 | GLO | 0.8644 |
194 | 1Z8 | 0.8644 |
195 | H62 | 0.8644 |
196 | 6XI | 0.8643 |
197 | XAN | 0.8642 |
198 | UFO | 0.8640 |
199 | EKZ | 0.8640 |
200 | GDE | 0.8640 |
201 | GUN | 0.8639 |
202 | 1WC | 0.8637 |
203 | Q24 | 0.8632 |
204 | IFL | 0.8630 |
205 | 2CZ | 0.8630 |
206 | IPB | 0.8629 |
207 | QBK | 0.8627 |
208 | MJ2 | 0.8625 |
209 | 8GK | 0.8622 |
210 | SOL | 0.8621 |
211 | GIV | 0.8619 |
212 | M1Z | 0.8615 |
213 | 069 | 0.8615 |
214 | X0V | 0.8615 |
215 | 5JQ | 0.8614 |
216 | NPA | 0.8612 |
217 | SQ7 | 0.8610 |
218 | 4NC | 0.8610 |
219 | 34D | 0.8608 |
220 | KTA | 0.8607 |
221 | JKZ | 0.8605 |
222 | SQ4 | 0.8602 |
223 | NCT | 0.8600 |
224 | 9UG | 0.8599 |
225 | 5RN | 0.8598 |
226 | FBW | 0.8597 |
227 | GCS | 0.8597 |
228 | IPT | 0.8596 |
229 | GLT | 0.8591 |
230 | GAL | 0.8591 |
231 | ICO | 0.8591 |
232 | NLA | 0.8590 |
233 | 2ZQ | 0.8588 |
234 | MN9 | 0.8586 |
235 | 7I2 | 0.8586 |
236 | 5NI | 0.8582 |
237 | 2TQ | 0.8581 |
238 | JR2 | 0.8580 |
239 | AZ8 | 0.8579 |
240 | LGC | 0.8579 |
241 | A29 | 0.8576 |
242 | EXD | 0.8570 |
243 | 5FN | 0.8570 |
244 | 5NU | 0.8569 |
245 | TRA | 0.8569 |
246 | F0J | 0.8569 |
247 | R8V | 0.8566 |
248 | MT5 | 0.8566 |
249 | XXP | 0.8566 |
250 | 3CR | 0.8566 |
251 | HBO | 0.8565 |
252 | G2F | 0.8559 |
253 | 9RW | 0.8557 |
254 | 5UK | 0.8553 |
255 | NHT | 0.8553 |
256 | SMN | 0.8553 |
257 | PXL | 0.8550 |
258 | 8W9 | 0.8549 |
259 | WOO | 0.8548 |
260 | 67X | 0.8547 |
261 | SVD | 0.8547 |
262 | NOJ | 0.8542 |
263 | RNS | 0.8540 |
264 | 5WU | 0.8533 |
265 | GAF | 0.8530 |
266 | J6W | 0.8529 |
267 | 3OC | 0.8521 |
268 | 8OZ | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 4ca5.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |