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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 277 families. | |||||
1 | 1PT8 | - | OXL | C2 O4 | C(=O)(C(=O.... |
2 | 1PT5 | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
3 | 1Q7E | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
4 | 1Q6Y | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
5 | 1P5R | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
6 | 1T3Z | - | CAO | C21 H36 N7 O17 P3 S | CC(C)(CO[P.... |
7 | 1VGR | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
8 | 2VJO | - | OXL | C2 O4 | C(=O)(C(=O.... |
9 | 1VGQ | - | CAO | C21 H36 N7 O17 P3 S | CC(C)(CO[P.... |
10 | 3UBM | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 1PT8 | - | OXL | C2 O4 | C(=O)(C(=O.... |
2 | 1PT5 | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
3 | 1Q7E | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
4 | 1Q6Y | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
5 | 1P5R | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
6 | 1T3Z | - | CAO | C21 H36 N7 O17 P3 S | CC(C)(CO[P.... |
7 | 1VGR | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
8 | 2VJO | - | OXL | C2 O4 | C(=O)(C(=O.... |
9 | 1VGQ | - | CAO | C21 H36 N7 O17 P3 S | CC(C)(CO[P.... |
10 | 3UBM | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CAO | 1 | 1 |
2 | COS | 0.913793 | 0.966292 |
3 | ACO | 0.898305 | 0.934066 |
4 | COK | 0.891667 | 0.966292 |
5 | SOP | 0.891667 | 0.944444 |
6 | FYN | 0.883333 | 0.965909 |
7 | 3KK | 0.883333 | 0.944444 |
8 | OXK | 0.876033 | 0.944444 |
9 | COA | 0.871795 | 0.965909 |
10 | 0T1 | 0.871795 | 0.94382 |
11 | DCA | 0.87069 | 0.922222 |
12 | CO6 | 0.868852 | 0.944444 |
13 | 1VU | 0.868852 | 0.934066 |
14 | CMC | 0.868852 | 0.944444 |
15 | 30N | 0.865546 | 0.946237 |
16 | 2MC | 0.861789 | 0.904255 |
17 | BCO | 0.854839 | 0.944444 |
18 | A1S | 0.854839 | 0.944444 |
19 | IVC | 0.854839 | 0.955056 |
20 | MLC | 0.854839 | 0.944444 |
21 | 3HC | 0.854839 | 0.955056 |
22 | 1HE | 0.854839 | 0.923913 |
23 | ETB | 0.854701 | 0.89011 |
24 | FCX | 0.85124 | 0.913043 |
25 | AMX | 0.85 | 0.954545 |
26 | COW | 0.849206 | 0.934066 |
27 | 2KQ | 0.849206 | 0.923913 |
28 | CAA | 0.848 | 0.955056 |
29 | COO | 0.848 | 0.944444 |
30 | MCA | 0.848 | 0.934066 |
31 | HAX | 0.844262 | 0.923077 |
32 | SCO | 0.842975 | 0.94382 |
33 | CMX | 0.842975 | 0.94382 |
34 | SCA | 0.84127 | 0.944444 |
35 | YXR | 0.84127 | 0.916667 |
36 | YXS | 0.84127 | 0.916667 |
37 | MC4 | 0.84127 | 0.894737 |
38 | 2CP | 0.84127 | 0.934066 |
39 | FAM | 0.836066 | 0.923077 |
40 | IRC | 0.834646 | 0.955056 |
41 | BYC | 0.834646 | 0.944444 |
42 | 1GZ | 0.834646 | 0.934066 |
43 | 3CP | 0.834646 | 0.944444 |
44 | KFV | 0.834646 | 0.867347 |
45 | HGG | 0.834646 | 0.944444 |
46 | COF | 0.834646 | 0.923913 |
47 | BCA | 0.828125 | 0.934066 |
48 | FAQ | 0.828125 | 0.944444 |
49 | 4CA | 0.828125 | 0.934066 |
50 | 2NE | 0.823077 | 0.923913 |
51 | GRA | 0.821705 | 0.944444 |
52 | HXC | 0.821705 | 0.923913 |
53 | SCD | 0.81746 | 0.94382 |
54 | KGP | 0.816 | 0.916667 |
55 | MCD | 0.816 | 0.923077 |
56 | YZS | 0.816 | 0.916667 |
57 | CA6 | 0.816 | 0.896907 |
58 | TGC | 0.815385 | 0.934066 |
59 | NMX | 0.809524 | 0.875 |
60 | CIC | 0.80916 | 0.944444 |
61 | 1CZ | 0.80916 | 0.934066 |
62 | CO8 | 0.80916 | 0.923913 |
63 | CAJ | 0.80315 | 0.923077 |
64 | MFK | 0.80303 | 0.923913 |
65 | 4CO | 0.80303 | 0.934066 |
66 | MYA | 0.80303 | 0.923913 |
67 | 0FQ | 0.80303 | 0.944444 |
68 | 5F9 | 0.80303 | 0.923913 |
69 | UCC | 0.80303 | 0.923913 |
70 | ST9 | 0.80303 | 0.923913 |
71 | DCC | 0.80303 | 0.923913 |
72 | UOQ | 0.798507 | 0.923913 |
73 | NHM | 0.798507 | 0.923913 |
74 | NHW | 0.798507 | 0.923913 |
75 | 0ET | 0.796992 | 0.923913 |
76 | 01A | 0.796992 | 0.904255 |
77 | KGJ | 0.796875 | 0.865979 |
78 | HFQ | 0.792593 | 0.923913 |
79 | 1CV | 0.791045 | 0.944444 |
80 | CS8 | 0.791045 | 0.913979 |
81 | WCA | 0.791045 | 0.923913 |
82 | YE1 | 0.790698 | 0.933333 |
83 | LCV | 0.790698 | 0.907216 |
84 | SO5 | 0.790698 | 0.907216 |
85 | HDC | 0.785185 | 0.923913 |
86 | 4KX | 0.785185 | 0.913979 |
87 | MRS | 0.779412 | 0.923913 |
88 | MRR | 0.779412 | 0.923913 |
89 | CA8 | 0.778626 | 0.896907 |
90 | KGA | 0.778626 | 0.857143 |
91 | DAK | 0.773723 | 0.913979 |
92 | YNC | 0.773723 | 0.934066 |
93 | J5H | 0.773723 | 0.944444 |
94 | S0N | 0.768657 | 0.923077 |
95 | 8Z2 | 0.768116 | 0.913979 |
96 | 1HA | 0.758865 | 0.923913 |
97 | NHQ | 0.757143 | 0.955056 |
98 | 01K | 0.741259 | 0.944444 |
99 | COT | 0.736111 | 0.944444 |
100 | F8G | 0.736111 | 0.885417 |
101 | CCQ | 0.729927 | 0.904255 |
102 | 7L1 | 0.728682 | 0.934066 |
103 | CA3 | 0.726027 | 0.944444 |
104 | RMW | 0.713333 | 0.923913 |
105 | COD | 0.704 | 0.954545 |
106 | CA5 | 0.701987 | 0.904255 |
107 | CO7 | 0.698529 | 0.944444 |
108 | 93P | 0.697368 | 0.934066 |
109 | UCA | 0.697368 | 0.923913 |
110 | 93M | 0.675159 | 0.934066 |
111 | N9V | 0.669014 | 0.892473 |
112 | OXT | 0.642424 | 0.885417 |
113 | COA FLC | 0.641791 | 0.932584 |
114 | BUA COA | 0.638298 | 0.912088 |
115 | 4BN | 0.634731 | 0.885417 |
116 | 5TW | 0.634731 | 0.885417 |
117 | 6NA COA | 0.616438 | 0.892473 |
118 | JBT | 0.616279 | 0.867347 |
119 | HMG | 0.612245 | 0.912088 |
120 | PLM COA | 0.604027 | 0.892473 |
121 | MYR COA | 0.604027 | 0.892473 |
122 | EO3 COA | 0.604027 | 0.892473 |
123 | X90 COA | 0.604027 | 0.892473 |
124 | DAO COA | 0.604027 | 0.892473 |
125 | DKA COA | 0.604027 | 0.892473 |
126 | DCR COA | 0.604027 | 0.892473 |
127 | BSJ | 0.60119 | 0.913979 |
128 | PAP | 0.587719 | 0.784091 |
129 | ASP ASP ASP ILE NH2 CMC | 0.564417 | 0.902174 |
130 | A3P | 0.535088 | 0.772727 |
131 | PPS | 0.533333 | 0.765957 |
132 | RFC | 0.51875 | 0.923913 |
133 | SFC | 0.51875 | 0.923913 |
134 | 0WD | 0.510638 | 0.763441 |
135 | ACE SER ASP ALY THR NH2 COA | 0.50838 | 0.902174 |
136 | MET VAL ASN ALA CMC | 0.505618 | 0.902174 |
137 | 5AD NJS | 0.476471 | 0.884211 |
138 | ACE MET LEU GLY PRO NH2 COA | 0.471204 | 0.902174 |
139 | PTJ | 0.469697 | 0.842697 |
140 | 3AM | 0.469565 | 0.761364 |
141 | A22 | 0.457364 | 0.786517 |
142 | A2D | 0.453782 | 0.775281 |
143 | PUA | 0.453333 | 0.793478 |
144 | PAJ | 0.450382 | 0.853933 |
145 | HQG | 0.449612 | 0.786517 |
146 | AGS | 0.448 | 0.8 |
147 | ATR | 0.448 | 0.772727 |
148 | 3OD | 0.447761 | 0.797753 |
149 | ADP | 0.442623 | 0.795455 |
150 | 9BG | 0.442177 | 0.763441 |
151 | UBG | 0.439759 | 0.817204 |
152 | A2R | 0.438462 | 0.786517 |
153 | 8LE | 0.4375 | 0.820225 |
154 | BA3 | 0.434426 | 0.775281 |
155 | NA7 | 0.432836 | 0.829545 |
156 | OAD | 0.432836 | 0.797753 |
157 | ATP | 0.432 | 0.795455 |
158 | HEJ | 0.432 | 0.795455 |
159 | AP5 | 0.430894 | 0.775281 |
160 | B4P | 0.430894 | 0.775281 |
161 | AR6 | 0.428571 | 0.775281 |
162 | 5FA | 0.428571 | 0.795455 |
163 | AQP | 0.428571 | 0.795455 |
164 | 2A5 | 0.428571 | 0.818182 |
165 | APR | 0.428571 | 0.775281 |
166 | YLB | 0.427586 | 0.877778 |
167 | AN2 | 0.427419 | 0.786517 |
168 | YLP | 0.426573 | 0.857143 |
169 | 48N | 0.426573 | 0.782609 |
170 | ME8 | 0.426471 | 0.815217 |
171 | JNT | 0.425373 | 0.818182 |
172 | AD9 | 0.425197 | 0.777778 |
173 | QA7 | 0.424242 | 0.820225 |
174 | 8LQ | 0.424242 | 0.808989 |
175 | M33 | 0.424 | 0.786517 |
176 | 9X8 | 0.422222 | 0.78022 |
177 | SRP | 0.419847 | 0.808989 |
178 | ANP | 0.418605 | 0.777778 |
179 | ADQ | 0.41791 | 0.777778 |
180 | FYA | 0.416058 | 0.786517 |
181 | AT4 | 0.416 | 0.808989 |
182 | 5AL | 0.415385 | 0.786517 |
183 | APU | 0.414966 | 0.76087 |
184 | AHX | 0.414815 | 0.802198 |
185 | 7D3 | 0.414634 | 0.766667 |
186 | NJP | 0.413333 | 0.78022 |
187 | F2R | 0.413333 | 0.836957 |
188 | 25L | 0.413043 | 0.786517 |
189 | CA0 | 0.412698 | 0.777778 |
190 | 7D4 | 0.412698 | 0.766667 |
191 | ATF | 0.412214 | 0.769231 |
192 | A2P | 0.41129 | 0.761364 |
193 | 8QN | 0.410448 | 0.786517 |
194 | KG4 | 0.409449 | 0.777778 |
195 | ACP | 0.409449 | 0.797753 |
196 | NDP | 0.409396 | 0.763441 |
197 | NPW | 0.409396 | 0.795699 |
198 | 8LH | 0.409091 | 0.808989 |
199 | ACQ | 0.407692 | 0.797753 |
200 | B5Y | 0.407143 | 0.76087 |
201 | ATP A A A | 0.407143 | 0.744444 |
202 | ATP A | 0.407143 | 0.744444 |
203 | FA5 | 0.407143 | 0.788889 |
204 | TXA | 0.405797 | 0.788889 |
205 | 1ZZ | 0.405797 | 0.815217 |
206 | NB8 | 0.405797 | 0.782609 |
207 | PAX | 0.405063 | 0.768421 |
208 | A | 0.404959 | 0.772727 |
209 | AMP | 0.404959 | 0.772727 |
210 | DLL | 0.404412 | 0.766667 |
211 | 00A | 0.404412 | 0.734043 |
212 | DQV | 0.402778 | 0.786517 |
213 | OMR | 0.401361 | 0.826087 |
214 | 9ZD | 0.4 | 0.791209 |
215 | 25A | 0.4 | 0.775281 |
216 | OOB | 0.4 | 0.766667 |
217 | LAQ | 0.4 | 0.815217 |
218 | 9ZA | 0.4 | 0.791209 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1vgr.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1vgr.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |