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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 | 1J53 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
2 | 1J54 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 1J53 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
2 | 1J54 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TMP | 1 | 1 |
2 | TYD | 0.80597 | 0.985714 |
3 | TTP | 0.760563 | 0.985714 |
4 | UFP | 0.716418 | 0.917808 |
5 | TBD | 0.708333 | 0.945205 |
6 | BRU | 0.705882 | 0.917808 |
7 | 5HU | 0.705882 | 0.957747 |
8 | TTP MG | 0.702703 | 0.957143 |
9 | 5IU | 0.695652 | 0.917808 |
10 | THM | 0.693548 | 0.859155 |
11 | LLT | 0.693548 | 0.859155 |
12 | NYM | 0.671429 | 0.971831 |
13 | FDM | 0.671429 | 0.931507 |
14 | THP | 0.661972 | 0.985507 |
15 | TLO | 0.654321 | 0.931507 |
16 | 9RC | 0.646341 | 0.839506 |
17 | 0DN | 0.646154 | 0.84507 |
18 | BVP | 0.64 | 0.957747 |
19 | ATM | 0.64 | 0.906667 |
20 | DAU | 0.635294 | 0.918919 |
21 | 18T | 0.623529 | 0.918919 |
22 | TRH | 0.623529 | 0.918919 |
23 | 1JB | 0.623529 | 0.918919 |
24 | TDX | 0.623529 | 0.931507 |
25 | 3R2 | 0.623529 | 0.906667 |
26 | 3YN | 0.609195 | 0.918919 |
27 | DWN | 0.609195 | 0.894737 |
28 | T3Q | 0.609195 | 0.894737 |
29 | T3F | 0.609195 | 0.894737 |
30 | 0N2 | 0.602273 | 0.883117 |
31 | T46 | 0.602273 | 0.918919 |
32 | T3P | 0.6 | 0.957143 |
33 | 0FX | 0.595506 | 0.894737 |
34 | MMF | 0.595506 | 0.894737 |
35 | AKM | 0.593407 | 0.873418 |
36 | UMP | 0.583333 | 0.956522 |
37 | DU | 0.583333 | 0.956522 |
38 | QDM | 0.582418 | 0.883117 |
39 | JHZ | 0.576087 | 0.871795 |
40 | 1YF | 0.576087 | 0.906667 |
41 | FNF | 0.576087 | 0.906667 |
42 | TXS | 0.575342 | 0.8 |
43 | 4TG | 0.569892 | 0.906667 |
44 | 5CM | 0.565789 | 0.931507 |
45 | T3S | 0.56 | 0.8 |
46 | 2DT | 0.555556 | 0.971429 |
47 | 3DR DT DT DT DT DT | 0.553191 | 0.917808 |
48 | ATY | 0.548781 | 0.931507 |
49 | DDN | 0.547945 | 0.956522 |
50 | AZD | 0.535714 | 0.894737 |
51 | FUH | 0.53 | 0.894737 |
52 | QUH | 0.53 | 0.894737 |
53 | T5A | 0.524272 | 0.829268 |
54 | DT ME6 DT | 0.509804 | 0.881579 |
55 | DC | 0.506494 | 0.890411 |
56 | DCM | 0.506494 | 0.890411 |
57 | AZZ | 0.5 | 0.789474 |
58 | 4TA | 0.495327 | 0.817073 |
59 | ABT | 0.483516 | 0.871795 |
60 | QBT | 0.480519 | 0.915493 |
61 | WMJ | 0.477778 | 0.75 |
62 | ADS THS THS THS | 0.477477 | 0.767442 |
63 | TQP | 0.474138 | 0.851852 |
64 | 7SG | 0.474138 | 0.851852 |
65 | T4K | 0.470085 | 0.841463 |
66 | T5K | 0.470085 | 0.841463 |
67 | DUD | 0.469136 | 0.942857 |
68 | UMC | 0.467532 | 0.901408 |
69 | D3T | 0.464286 | 0.957747 |
70 | TPE | 0.463158 | 0.881579 |
71 | D4M | 0.461538 | 0.927536 |
72 | ID2 | 0.452055 | 0.786667 |
73 | UC5 | 0.451219 | 0.929577 |
74 | DUT | 0.447059 | 0.942857 |
75 | DUP | 0.44186 | 0.916667 |
76 | DUN | 0.440476 | 0.916667 |
77 | DT MA7 DT | 0.42623 | 0.807229 |
78 | 8OG | 0.425287 | 0.82716 |
79 | BVD | 0.423077 | 0.821918 |
80 | 74W | 0.42 | 0.72093 |
81 | 74X | 0.42 | 0.72093 |
82 | O5W | 0.417391 | 0.831325 |
83 | 5FU | 0.4125 | 0.84 |
84 | D4D | 0.411765 | 0.914286 |
85 | DUT MG | 0.409091 | 0.914286 |
86 | PAX | 0.408333 | 0.839506 |
87 | YYY | 0.406977 | 0.878378 |
88 | BTD | 0.404762 | 0.759494 |
89 | DPB | 0.404494 | 0.890411 |
90 | 5BU | 0.402439 | 0.84 |
91 | 3DT | 0.4 | 0.821918 |
92 | UMP AF3 PO4 | 0.4 | 0.842105 |
93 | DUS | 0.4 | 0.820513 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | U5P | 0.9732 |
2 | U | 0.9715 |
3 | 9L3 | 0.9664 |
4 | C | 0.9658 |
5 | TKW | 0.9632 |
6 | C5P | 0.9620 |
7 | CAR | 0.9605 |
8 | DOC | 0.9594 |
9 | DI | 0.9588 |
10 | D5M | 0.9583 |
11 | DA | 0.9583 |
12 | AS | 0.9562 |
13 | FN5 | 0.9539 |
14 | PSU | 0.9510 |
15 | AMP | 0.9498 |
16 | 5HM | 0.9493 |
17 | UP6 | 0.9493 |
18 | CNU | 0.9453 |
19 | G | 0.9439 |
20 | FNU | 0.9424 |
21 | BMP | 0.9421 |
22 | 71V | 0.9416 |
23 | CH | 0.9402 |
24 | DGP | 0.9400 |
25 | DG | 0.9399 |
26 | IRP | 0.9398 |
27 | IMP | 0.9395 |
28 | AMP MG | 0.9392 |
29 | NUP | 0.9391 |
30 | H2U | 0.9386 |
31 | BMQ | 0.9386 |
32 | 45A | 0.9357 |
33 | FMP | 0.9350 |
34 | 16B | 0.9328 |
35 | 8BR | 0.9313 |
36 | SRA | 0.9310 |
37 | U6M | 0.9302 |
38 | S5P | 0.9291 |
39 | 5GP | 0.9283 |
40 | 6MA | 0.9256 |
41 | NIA | 0.9236 |
42 | 1RB | 0.9232 |
43 | XMP | 0.9225 |
44 | NCN | 0.9209 |
45 | PFU | 0.9208 |
46 | AMZ | 0.9203 |
47 | NMN | 0.9201 |
48 | IMU | 0.9179 |
49 | C2R | 0.9163 |
50 | 7D5 | 0.9156 |
51 | M2T | 0.9153 |
52 | AIR | 0.9142 |
53 | IGP | 0.9119 |
54 | 7RP | 0.9113 |
55 | ZAS | 0.9112 |
56 | O7E | 0.9111 |
57 | G7M | 0.9109 |
58 | Z8B | 0.9107 |
59 | AOC | 0.9102 |
60 | P2P | 0.9102 |
61 | MTI | 0.9099 |
62 | MTM | 0.9089 |
63 | EP4 | 0.9078 |
64 | 7RA | 0.9076 |
65 | 8OP | 0.9075 |
66 | JW5 | 0.9074 |
67 | U4S | 0.9067 |
68 | NEC | 0.9060 |
69 | 103 | 0.9052 |
70 | 6CN | 0.9050 |
71 | CMP | 0.9048 |
72 | 8GM | 0.9041 |
73 | PCG | 0.9018 |
74 | N5O | 0.9014 |
75 | MTH | 0.9008 |
76 | 6RE | 0.9008 |
77 | J7C | 0.9008 |
78 | 6AU | 0.8994 |
79 | X29 | 0.8993 |
80 | AAM | 0.8992 |
81 | MTA | 0.8986 |
82 | 4BH | 0.8983 |
83 | T7O | 0.8981 |
84 | 101 | 0.8975 |
85 | 3RC | 0.8971 |
86 | IWH | 0.8953 |
87 | 93A | 0.8949 |
88 | CDP | 0.8942 |
89 | OMP | 0.8940 |
90 | RBZ | 0.8940 |
91 | RMB | 0.8940 |
92 | SP1 | 0.8938 |
93 | NWQ | 0.8937 |
94 | A3N | 0.8927 |
95 | 0RA | 0.8924 |
96 | 35G | 0.8923 |
97 | RP1 | 0.8922 |
98 | 3F5 | 0.8922 |
99 | SNP | 0.8911 |
100 | 4X2 | 0.8911 |
101 | 5AS | 0.8909 |
102 | QTJ | 0.8907 |
103 | FAI | 0.8897 |
104 | U3S | 0.8891 |
105 | N8M | 0.8882 |
106 | K8W | 0.8865 |
107 | O8M | 0.8865 |
108 | P1D | 0.8862 |
109 | HDU | 0.8860 |
110 | JLN | 0.8858 |
111 | F9B | 0.8856 |
112 | 2GE | 0.8854 |
113 | 9X0 | 0.8850 |
114 | 9W7 | 0.8846 |
115 | U1S | 0.8844 |
116 | VIB | 0.8841 |
117 | 6SZ | 0.8839 |
118 | U2S | 0.8839 |
119 | MCF | 0.8838 |
120 | 9RK | 0.8834 |
121 | S2X | 0.8832 |
122 | 2OM | 0.8831 |
123 | JP3 | 0.8828 |
124 | KWV | 0.8825 |
125 | E42 | 0.8823 |
126 | 6SW | 0.8823 |
127 | AZU | 0.8821 |
128 | 5QT | 0.8817 |
129 | 7CH | 0.8816 |
130 | DRM | 0.8814 |
131 | TRP GLY | 0.8811 |
132 | IRN | 0.8803 |
133 | 3GP | 0.8801 |
134 | 1Q2 | 0.8801 |
135 | 41L | 0.8798 |
136 | M8Q | 0.8796 |
137 | PZB | 0.8789 |
138 | HGH | 0.8788 |
139 | AHU | 0.8779 |
140 | 34L | 0.8779 |
141 | CMZ | 0.8774 |
142 | MN QAY | 0.8774 |
143 | GAR | 0.8772 |
144 | 43J | 0.8771 |
145 | JFX | 0.8768 |
146 | FIP | 0.8763 |
147 | TMC | 0.8763 |
148 | SSI | 0.8762 |
149 | 6SX | 0.8756 |
150 | B86 | 0.8754 |
151 | 6SY | 0.8753 |
152 | 75G | 0.8753 |
153 | 1CE | 0.8750 |
154 | SU1 | 0.8748 |
155 | 6J7 | 0.8748 |
156 | 4JW | 0.8743 |
157 | PCP | 0.8742 |
158 | KWD | 0.8741 |
159 | RKY | 0.8739 |
160 | S0J | 0.8736 |
161 | A3S | 0.8725 |
162 | 13F | 0.8724 |
163 | 5BT | 0.8722 |
164 | 2AM | 0.8719 |
165 | 9PP | 0.8716 |
166 | MCY | 0.8716 |
167 | MTE | 0.8715 |
168 | P2G | 0.8715 |
169 | FO2 | 0.8712 |
170 | PNW | 0.8711 |
171 | C4F | 0.8711 |
172 | 100 | 0.8711 |
173 | VCE | 0.8709 |
174 | RFZ | 0.8708 |
175 | VM7 | 0.8705 |
176 | 460 | 0.8702 |
177 | QTM | 0.8700 |
178 | 43G | 0.8700 |
179 | FOY | 0.8700 |
180 | SCT | 0.8699 |
181 | 67B | 0.8699 |
182 | K6B | 0.8698 |
183 | BXS | 0.8696 |
184 | 7KE | 0.8696 |
185 | O7M | 0.8691 |
186 | VKE | 0.8688 |
187 | 9W8 | 0.8687 |
188 | 6U5 | 0.8686 |
189 | U55 | 0.8686 |
190 | BO1 | 0.8683 |
191 | DZJ | 0.8678 |
192 | 3D1 | 0.8676 |
193 | IPL | 0.8672 |
194 | ZKW | 0.8671 |
195 | 5NB | 0.8670 |
196 | BFS | 0.8668 |
197 | BY0 | 0.8667 |
198 | 2T4 | 0.8663 |
199 | 1E5 | 0.8658 |
200 | NOS | 0.8656 |
201 | 9K2 | 0.8655 |
202 | OVE | 0.8654 |
203 | PNJ | 0.8651 |
204 | C0V | 0.8649 |
205 | PY1 | 0.8649 |
206 | R38 | 0.8648 |
207 | KMG | 0.8647 |
208 | ADN | 0.8647 |
209 | UDP | 0.8642 |
210 | 7G2 | 0.8642 |
211 | EFX | 0.8639 |
212 | KVQ | 0.8638 |
213 | 90J | 0.8637 |
214 | CHV | 0.8634 |
215 | QC2 | 0.8634 |
216 | PMO | 0.8631 |
217 | 0DJ | 0.8627 |
218 | AQ1 | 0.8626 |
219 | NFG | 0.8622 |
220 | IMH | 0.8621 |
221 | 6XR | 0.8618 |
222 | GMP | 0.8611 |
223 | 7VF | 0.8610 |
224 | 0LA | 0.8606 |
225 | FYK | 0.8605 |
226 | PRX | 0.8602 |
227 | N1Y | 0.8602 |
228 | F01 | 0.8599 |
229 | ADL | 0.8596 |
230 | ESJ | 0.8593 |
231 | E44 | 0.8591 |
232 | Q7U | 0.8591 |
233 | DUR | 0.8589 |
234 | 65W | 0.8588 |
235 | FT1 | 0.8586 |
236 | GG5 | 0.8585 |
237 | CTN | 0.8584 |
238 | DCZ | 0.8583 |
239 | PB2 | 0.8582 |
240 | 5UD | 0.8582 |
241 | TVC | 0.8577 |
242 | TAL | 0.8570 |
243 | E2N | 0.8569 |
244 | KVW | 0.8566 |
245 | 4ZW | 0.8564 |
246 | 802 | 0.8560 |
247 | LMZ | 0.8555 |
248 | 0NH | 0.8554 |
249 | 8MF | 0.8552 |
250 | 5V3 | 0.8550 |
251 | KUQ | 0.8549 |
252 | FT3 | 0.8547 |
253 | FMC | 0.8545 |
254 | SDN | 0.8536 |
255 | 6MY | 0.8534 |
256 | I5A | 0.8529 |
This union binding pocket(no: 1) in the query (biounit: 1j54.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |