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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 237 families. | |||||
1 | 3ZJ0 | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 187 families. | |||||
1 | 3ZJ0 | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ACO | 1 | 1 |
2 | 3KK | 0.9 | 0.988636 |
3 | CAO | 0.898305 | 0.934066 |
4 | COS | 0.898305 | 0.944444 |
5 | 2MC | 0.893443 | 0.945652 |
6 | OXK | 0.892562 | 0.966292 |
7 | MC4 | 0.887097 | 0.935484 |
8 | CO6 | 0.885246 | 0.988636 |
9 | 1VU | 0.885246 | 0.977528 |
10 | CAA | 0.879032 | 0.977273 |
11 | SOP | 0.877049 | 0.966292 |
12 | MLC | 0.870968 | 0.966292 |
13 | BCO | 0.870968 | 0.966292 |
14 | 1HE | 0.870968 | 0.966667 |
15 | 3HC | 0.870968 | 0.977273 |
16 | IVC | 0.870968 | 0.977273 |
17 | FYN | 0.868852 | 0.965909 |
18 | MCA | 0.864 | 0.977528 |
19 | COO | 0.864 | 0.966292 |
20 | COK | 0.861789 | 0.944444 |
21 | COA | 0.857143 | 0.965909 |
22 | SCA | 0.857143 | 0.966292 |
23 | 0T1 | 0.857143 | 0.94382 |
24 | DCA | 0.855932 | 0.94382 |
25 | CMC | 0.854839 | 0.944444 |
26 | 30N | 0.85124 | 0.885417 |
27 | HGG | 0.850394 | 0.966292 |
28 | BYC | 0.850394 | 0.966292 |
29 | COW | 0.850394 | 0.955556 |
30 | IRC | 0.850394 | 0.977273 |
31 | 1GZ | 0.850394 | 0.955556 |
32 | BCA | 0.84375 | 0.955556 |
33 | FAQ | 0.84375 | 0.966292 |
34 | 2CP | 0.84252 | 0.955556 |
35 | A1S | 0.84127 | 0.966292 |
36 | ETB | 0.840336 | 0.932584 |
37 | GRA | 0.837209 | 0.966292 |
38 | HXC | 0.837209 | 0.988764 |
39 | AMX | 0.836066 | 0.954545 |
40 | TGC | 0.830769 | 0.955556 |
41 | SCO | 0.829268 | 0.94382 |
42 | CMX | 0.829268 | 0.94382 |
43 | 2NE | 0.824427 | 0.945055 |
44 | 1CZ | 0.824427 | 0.955556 |
45 | CO8 | 0.824427 | 0.988764 |
46 | FAM | 0.822581 | 0.923077 |
47 | FCX | 0.822581 | 0.913043 |
48 | COF | 0.821705 | 0.923913 |
49 | 3CP | 0.821705 | 0.944444 |
50 | 2KQ | 0.821705 | 0.988764 |
51 | MYA | 0.818182 | 0.988764 |
52 | ST9 | 0.818182 | 0.988764 |
53 | UCC | 0.818182 | 0.988764 |
54 | DCC | 0.818182 | 0.988764 |
55 | MFK | 0.818182 | 0.988764 |
56 | 5F9 | 0.818182 | 0.988764 |
57 | HAX | 0.816 | 0.923077 |
58 | 4CA | 0.815385 | 0.934066 |
59 | 7L1 | 0.814516 | 1 |
60 | WCA | 0.80597 | 0.945055 |
61 | CS8 | 0.80597 | 0.977778 |
62 | SCD | 0.804688 | 0.94382 |
63 | MCD | 0.80315 | 0.966292 |
64 | CA6 | 0.80315 | 0.896907 |
65 | HDC | 0.8 | 0.988764 |
66 | 4KX | 0.8 | 0.934783 |
67 | CIC | 0.796992 | 0.944444 |
68 | NMX | 0.796875 | 0.875 |
69 | MRR | 0.794118 | 0.988764 |
70 | MRS | 0.794118 | 0.988764 |
71 | 4CO | 0.791045 | 0.934066 |
72 | 0FQ | 0.791045 | 0.944444 |
73 | CAJ | 0.790698 | 0.944444 |
74 | YNC | 0.788321 | 0.955556 |
75 | DAK | 0.788321 | 0.934783 |
76 | 0ET | 0.785185 | 0.966667 |
77 | 01A | 0.785185 | 0.904255 |
78 | 8Z2 | 0.782609 | 0.977778 |
79 | HFQ | 0.781022 | 0.923913 |
80 | 1CV | 0.779412 | 0.966292 |
81 | YE1 | 0.778626 | 0.933333 |
82 | NHM | 0.773723 | 0.966667 |
83 | UOQ | 0.773723 | 0.966667 |
84 | NHW | 0.773723 | 0.966667 |
85 | CA8 | 0.766917 | 0.877551 |
86 | F8G | 0.762238 | 0.946237 |
87 | 1HA | 0.760563 | 0.945055 |
88 | NHQ | 0.746479 | 0.955056 |
89 | S0N | 0.744526 | 0.923077 |
90 | CCQ | 0.744526 | 0.945652 |
91 | 01K | 0.743056 | 0.966292 |
92 | COT | 0.737931 | 0.944444 |
93 | CA3 | 0.727891 | 0.944444 |
94 | UCA | 0.721854 | 0.988764 |
95 | CO7 | 0.713235 | 0.966292 |
96 | CA5 | 0.703947 | 0.904255 |
97 | 93P | 0.699346 | 0.934066 |
98 | COD | 0.692913 | 0.954545 |
99 | 93M | 0.666667 | 0.934066 |
100 | 4BN | 0.656627 | 0.946237 |
101 | 5TW | 0.656627 | 0.946237 |
102 | OXT | 0.634731 | 0.946237 |
103 | HMG | 0.62585 | 0.933333 |
104 | PLM COA | 0.61745 | 0.955556 |
105 | COA PLM | 0.61745 | 0.955556 |
106 | JBT | 0.609195 | 0.926316 |
107 | BSJ | 0.594118 | 0.913979 |
108 | PAP | 0.577586 | 0.784091 |
109 | ASP ASP ASP ILE CMC NH2 | 0.557576 | 0.902174 |
110 | PPS | 0.53719 | 0.729167 |
111 | 191 | 0.532895 | 0.877551 |
112 | RFC | 0.53125 | 0.966667 |
113 | SFC | 0.53125 | 0.966667 |
114 | A3P | 0.525862 | 0.772727 |
115 | ACE SER ASP ALY THR NH2 COA | 0.511111 | 0.923077 |
116 | 0WD | 0.503497 | 0.763441 |
117 | PTJ | 0.462687 | 0.842697 |
118 | 3AM | 0.461538 | 0.761364 |
119 | 3OD | 0.451852 | 0.797753 |
120 | A22 | 0.450382 | 0.786517 |
121 | PUA | 0.447368 | 0.793478 |
122 | A2D | 0.446281 | 0.775281 |
123 | PAJ | 0.443609 | 0.853933 |
124 | SAP | 0.440945 | 0.8 |
125 | ATR | 0.440945 | 0.772727 |
126 | AGS | 0.440945 | 0.8 |
127 | OAD | 0.437037 | 0.797753 |
128 | ADP | 0.435484 | 0.795455 |
129 | A2R | 0.431818 | 0.786517 |
130 | BA3 | 0.427419 | 0.775281 |
131 | NA7 | 0.426471 | 0.829545 |
132 | 9X8 | 0.426471 | 0.8 |
133 | HEJ | 0.425197 | 0.795455 |
134 | ATP | 0.425197 | 0.795455 |
135 | B4P | 0.424 | 0.775281 |
136 | AP5 | 0.424 | 0.775281 |
137 | ADQ | 0.422222 | 0.777778 |
138 | AQP | 0.421875 | 0.795455 |
139 | AR6 | 0.421875 | 0.775281 |
140 | 5FA | 0.421875 | 0.795455 |
141 | 2A5 | 0.421875 | 0.818182 |
142 | APR | 0.421875 | 0.775281 |
143 | 48N | 0.42069 | 0.802198 |
144 | AN2 | 0.420635 | 0.786517 |
145 | FYA | 0.42029 | 0.786517 |
146 | M33 | 0.417323 | 0.786517 |
147 | SRP | 0.413534 | 0.808989 |
148 | ANP | 0.412214 | 0.777778 |
149 | YLB | 0.412162 | 0.877778 |
150 | FA5 | 0.411348 | 0.788889 |
151 | YLP | 0.410959 | 0.877778 |
152 | ME8 | 0.410072 | 0.835165 |
153 | AT4 | 0.409449 | 0.808989 |
154 | APU | 0.409396 | 0.76087 |
155 | 5AL | 0.409091 | 0.786517 |
156 | 7D3 | 0.408 | 0.766667 |
157 | F2R | 0.407895 | 0.836957 |
158 | NJP | 0.407895 | 0.78022 |
159 | AD9 | 0.407692 | 0.777778 |
160 | 25L | 0.407143 | 0.786517 |
161 | 7D4 | 0.40625 | 0.766667 |
162 | CA0 | 0.40625 | 0.777778 |
163 | ATF | 0.406015 | 0.769231 |
164 | A A A | 0.405797 | 0.786517 |
165 | A2P | 0.404762 | 0.761364 |
166 | 9ZA | 0.404412 | 0.791209 |
167 | 8QN | 0.404412 | 0.786517 |
168 | 9ZD | 0.404412 | 0.791209 |
169 | LAQ | 0.40411 | 0.815217 |
170 | NDP | 0.403974 | 0.763441 |
171 | ACP | 0.403101 | 0.797753 |
172 | ACQ | 0.401515 | 0.797753 |
173 | YAP | 0.401408 | 0.78022 |
174 | ATP A A A | 0.401408 | 0.744444 |
175 | TXA | 0.4 | 0.788889 |
176 | NB8 | 0.4 | 0.782609 |
177 | PAX | 0.4 | 0.768421 |
178 | 1ZZ | 0.4 | 0.855556 |
This union binding pocket(no: 1) in the query (biounit: 3zj0.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1GXU | 2HP | None |
2 | 2IL4 | COA | None |
3 | 2WOR | 2AN | None |
4 | 4RJD | TFP | None |
5 | 5NNT | DPV | None |
6 | 3GD8 | GOL | None |
7 | 2QQC | AG2 | None |
8 | 1N13 | AG2 | None |
9 | 3KPE | TM3 | None |
10 | 5U32 | GDP | None |
11 | 3A4M | ADP | 0.970874 |
12 | 2D2F | ADP | 1.45631 |
13 | 3KJI | ADP | 1.45631 |
14 | 3IIJ | ADP | 1.66667 |
15 | 5UGW | GSH | 1.71429 |
16 | 2WPX | ACO | 1.94175 |
17 | 2GWH | PCI | 1.94175 |
18 | 2F7A | BEZ | 1.94175 |
19 | 5M37 | 9SZ | 1.94175 |
20 | 4R2I | ANP | 1.94175 |
21 | 3E3U | NVC | 2.03046 |
22 | 2WJG | GDP | 2.12766 |
23 | 4NTO | 1PW | 2.42718 |
24 | 2IYL | GDP | 2.42718 |
25 | 3LGS | ADE | 2.42718 |
26 | 3UEC | ALA ARG TPO LYS | 2.73973 |
27 | 4LYA | ATP | 2.86225 |
28 | 2VVG | ADP | 2.91262 |
29 | 5NM7 | GLY | 2.91262 |
30 | 2OBM | ADP | 2.91262 |
31 | 3COB | ADP | 2.91262 |
32 | 2WW4 | ADP | 2.91262 |
33 | 1TV5 | A26 | 2.91262 |
34 | 5CK5 | GDP | 2.91262 |
35 | 1TV5 | N8E | 2.91262 |
36 | 5WL1 | CUY | 3.0303 |
37 | 5WL1 | D3D | 3.0303 |
38 | 3MG9 | GHP 3MY 3FG GHP GHP OMY 3FG | 3.06122 |
39 | 4U9W | COA | 3.39806 |
40 | 2BHW | NEX | 3.39806 |
41 | 5ZXD | ATP | 3.39806 |
42 | 1JI0 | ATP | 3.39806 |
43 | 2DPY | ADP | 3.39806 |
44 | 3O01 | DXC | 3.39806 |
45 | 5GLN | XYP XYP XYP | 3.39806 |
46 | 2WTN | FER | 3.39806 |
47 | 3BIY | 01K | 3.39806 |
48 | 1OXV | ANP | 3.39806 |
49 | 2VDY | HCY | 3.39806 |
50 | 5L8L | ADP | 3.4188 |
51 | 5OLZ | T4E | 3.45622 |
52 | 3NJQ | NJQ | 3.62694 |
53 | 6GD6 | EVB | 3.7037 |
54 | 5KTC | FUH | 3.7234 |
55 | 5KTC | COA | 3.7234 |
56 | 2WPW | ACO | 3.8835 |
57 | 1BOB | ACO | 3.8835 |
58 | 5XQL | C2E | 3.8835 |
59 | 4UWJ | MYA | 3.8835 |
60 | 4UWJ | 7L5 | 3.8835 |
61 | 4U00 | ADP | 3.8835 |
62 | 1N4K | I3P | 3.8835 |
63 | 2Z8L | NAG FUC SIA GAL | 3.8835 |
64 | 2FAH | MLA | 3.8835 |
65 | 3HQP | FDP | 3.8835 |
66 | 1ZGS | XMM | 3.8835 |
67 | 1YRB | GDP | 3.8835 |
68 | 2W58 | ADP | 3.9604 |
69 | 6ARJ | SAH | 4.01146 |
70 | 6ARJ | BW4 | 4.01146 |
71 | 1YRE | COA | 4.06091 |
72 | 6FLZ | MMA | 4.16667 |
73 | 1G6H | ADP | 4.28016 |
74 | 5OCQ | CIT | 4.36893 |
75 | 4BTB | PRO PRO PRO PRO PRO PRO PRO PRO PRO | 4.36893 |
76 | 1GPM | CIT | 4.36893 |
77 | 5NN0 | 92H | 4.36893 |
78 | 5OSW | DIU | 4.36893 |
79 | 6CS8 | F9Y | 4.36893 |
80 | 3GJB | AKG | 4.36893 |
81 | 6G5Q | EMZ | 4.36893 |
82 | 4KCT | FDP | 4.36893 |
83 | 1PFK | ADP | 4.36893 |
84 | 5W6Y | TRP | 4.36893 |
85 | 2Q8G | AZX | 4.36893 |
86 | 3N2O | AG2 | 4.36893 |
87 | 1SBR | VIB | 4.5 |
88 | 2CJW | GDP | 4.6875 |
89 | 2ZPA | ACO | 4.85437 |
90 | 3D2M | COA | 4.85437 |
91 | 1T3D | CYS | 4.85437 |
92 | 1ZED | PNP | 4.85437 |
93 | 3B6C | SDN | 4.85437 |
94 | 2GKS | ADP | 4.85437 |
95 | 5XK9 | GST | 4.85437 |
96 | 3BJC | WAN | 4.85437 |
97 | 3X01 | AMP | 4.85437 |
98 | 3KC1 | 2T6 | 4.85437 |
99 | 4ZGM | 32M | 4.91803 |
100 | 5V4R | MGT | 4.93827 |
101 | 4P83 | U5P | 4.94506 |
102 | 2CDN | ADP | 4.97512 |
103 | 2C3H | GLC GLC | 5.10204 |
104 | 1XXA | ARG | 5.12821 |
105 | 1RRC | ADP | 5.33981 |
106 | 1B0U | ATP | 5.33981 |
107 | 2JLD | ALA GLY GLY ALA ALA ALA ALA ALA | 5.33981 |
108 | 5FQK | 6NT | 5.33981 |
109 | 4OPC | PGT | 5.33981 |
110 | 4OPC | FDA | 5.33981 |
111 | 5AJU | RP5 | 5.33981 |
112 | 3CV2 | COA | 5.33981 |
113 | 3W5J | GDP | 5.39216 |
114 | 4H6U | ACO | 5.5 |
115 | 1XPJ | TLA | 5.55556 |
116 | 1HBK | MYR | 5.61798 |
117 | 2CBZ | ATP | 5.82524 |
118 | 1T36 | ORN | 5.82524 |
119 | 5A04 | BGC | 5.82524 |
120 | 4YDS | ATP | 5.82524 |
121 | 5NCB | JZ3 | 5.82524 |
122 | 5ZI9 | FLC | 5.82524 |
123 | 1V8K | ANP | 5.82524 |
124 | 1YLH | PYR | 5.82524 |
125 | 3AB4 | THR | 6.17978 |
126 | 5JPH | COA | 6.25 |
127 | 3TDC | 0EU | 6.31068 |
128 | 5GVR | LMR | 6.31068 |
129 | 1FM9 | 570 | 6.31068 |
130 | 5W7B | MYR | 6.38298 |
131 | 4QM7 | GTP | 6.43275 |
132 | 3LN9 | FLC | 6.47482 |
133 | 4CRZ | ACO | 6.56934 |
134 | 4B5P | ACO | 6.79612 |
135 | 3TE4 | ACO | 6.79612 |
136 | 3VPD | CIT | 6.79612 |
137 | 1M4I | COA | 6.79612 |
138 | 1M4I | KAN | 6.79612 |
139 | 6A20 | ADP | 6.79612 |
140 | 1R0X | ATP | 6.79612 |
141 | 1M4I | PAP | 6.79612 |
142 | 2BVE | PH5 | 6.79612 |
143 | 4IV9 | TSR | 6.79612 |
144 | 1YBH | P22 | 6.79612 |
145 | 1IYK | MYA | 6.79612 |
146 | 4F4S | EFO | 6.79612 |
147 | 5YV5 | ADP | 7.28155 |
148 | 5TVJ | 7LF | 7.28155 |
149 | 2OG2 | MLI | 7.28155 |
150 | 3B9Q | MLI | 7.28155 |
151 | 1YQT | ADP | 7.28155 |
152 | 3LRE | ADP | 7.28155 |
153 | 4ARE | FLC | 7.28155 |
154 | 1G8S | MET | 7.28155 |
155 | 4CVN | ADP | 7.28155 |
156 | 5TVJ | COA | 7.28155 |
157 | 6BA2 | 7KM | 7.76699 |
158 | 1JJ7 | ADP | 7.76699 |
159 | 4ONT | SIA GAL BGC | 7.76699 |
160 | 4K30 | NLG | 7.76699 |
161 | 4PSW | COA | 7.89474 |
162 | 4YMU | ATP | 7.91667 |
163 | 4I67 | G G G RPC | 8.04598 |
164 | 2WSA | MYA | 8.25243 |
165 | 2WSA | 646 | 8.25243 |
166 | 2YNE | NHW | 8.25243 |
167 | 2YNE | YNE | 8.25243 |
168 | 5TSH | ADP | 8.25243 |
169 | 4KFU | ACP | 8.25243 |
170 | 1HK8 | DGT | 8.25243 |
171 | 6BR8 | 6OU | 8.25243 |
172 | 2YNC | YNC | 8.25243 |
173 | 5TSH | ANP | 8.25243 |
174 | 1LVG | ADP | 8.58586 |
175 | 2AWN | ADP | 8.73786 |
176 | 5MU6 | KFK | 8.73786 |
177 | 5MU6 | MYA | 8.73786 |
178 | 2Z3U | CRR | 8.73786 |
179 | 3ZIA | ADP | 8.73786 |
180 | 3EYK | EYK | 8.73786 |
181 | 6EVN | PRO PRO GLY PRO ALA GLY PRO PRO GLY | 8.82353 |
182 | 3R96 | AMP | 9.04255 |
183 | 3R96 | ACO | 9.04255 |
184 | 3TO7 | COA | 9.2233 |
185 | 4C2X | NHW | 9.2233 |
186 | 1IID | NHM | 9.2233 |
187 | 3NHB | ADP | 9.2233 |
188 | 2O1V | ADP | 9.2233 |
189 | 5F1V | 3VN | 9.2233 |
190 | 6BMS | POV | 9.70874 |
191 | 4OGQ | 7PH | 9.70874 |
192 | 1XMV | ADP | 9.70874 |
193 | 4UA3 | COA | 9.79381 |
194 | 1GHE | ACO | 10.1695 |
195 | 2HHP | FLC | 10.1942 |
196 | 3H4S | ADP | 10.1942 |
197 | 4FRZ | ADP | 10.1942 |
198 | 1V0C | ACO | 10.396 |
199 | 1V0C | KNC | 10.396 |
200 | 5XXS | COA | 10.6061 |
201 | 5LX9 | OLB | 10.6796 |
202 | 4AG9 | COA | 10.6796 |
203 | 1Y63 | ADP | 10.8696 |
204 | 1S7N | COA | 10.989 |
205 | 2VZZ | SCA | 11.165 |
206 | 3HRD | NIO | 11.165 |
207 | 1QSM | ACO | 11.1842 |
208 | 6EDV | COA | 11.3402 |
209 | 1NF8 | BOG | 11.6505 |
210 | 3QIN | P1Y | 12 |
211 | 4RI1 | ACO | 12.1359 |
212 | 3TK1 | GDP | 12.1359 |
213 | 4DE2 | DN3 | 12.1359 |
214 | 1XP8 | AGS | 12.1359 |
215 | 4DDY | DN6 | 12.1359 |
216 | 1N71 | COA | 12.6214 |
217 | 3SXN | COA | 12.6214 |
218 | 6B5K | TYD | 12.6214 |
219 | 4QC6 | 30N | 12.8492 |
220 | 2BCG | GER | 13.1068 |
221 | 2B4B | COA | 13.4503 |
222 | 2B4D | COA | 13.4503 |
223 | 5HGZ | ACO | 13.5922 |
224 | 5HH0 | COA | 13.5922 |
225 | 4PPF | FLC | 13.5922 |
226 | 3W9F | I3P | 13.5922 |
227 | 5GK9 | ACO | 14 |
228 | 1W55 | GPP | 14.0777 |
229 | 1QSR | ACO | 14.1975 |
230 | 1Q2D | COA | 14.1975 |
231 | 1QSN | COA | 14.1975 |
232 | 1Q2C | COA | 14.1975 |
233 | 5LS7 | ACO | 14.6341 |
234 | 2JEV | NHQ | 14.9425 |
235 | 2CNT | COA | 15 |
236 | 4AG5 | ADP | 15.0485 |
237 | 2VBQ | BSJ | 15.1515 |
238 | 2Q4V | ACO | 15.8824 |
239 | 1I1D | COA | 16.1491 |
240 | 1I1D | 16G | 16.1491 |
241 | 1WWZ | ACO | 16.9811 |
242 | 2PZE | ATP | 16.9903 |
243 | 4WZ6 | ATP | 16.9903 |
244 | 5YGE | ACO | 17.2414 |
245 | 5YGE | GLU | 17.2414 |
246 | 5K04 | COA | 17.6471 |
247 | 4KVX | ACO | 17.9487 |
248 | 3N7S | 3N7 | 18.2609 |
249 | 5H86 | BCO | 18.4524 |
250 | 3G5K | BB2 | 19.1257 |
251 | 1Q19 | SSC | 19.9029 |
252 | 1KUV | CA5 | 20.8738 |
253 | 1RJW | ETF | 20.8738 |
254 | 5W97 | CHD | 21.4286 |
255 | 5ZCO | CHD | 21.4286 |
256 | 5Z84 | CHD | 21.4286 |
257 | 5TCI | MLI | 21.8447 |
258 | 2V7Q | ADP | 22.3301 |
259 | 4NSQ | COA | 24.2105 |
260 | 1CM0 | COA | 27.381 |
261 | 4R3L | COA | 28.3237 |