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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 6 families. | |||||
1 | 1FWY | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
2 | 2V0K | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
3 | 4E1K | Kd = 0.5 uM | 0N5 | C22 H18 N4 O3 | COc1cc2c(c.... |
4 | 4KNX | ic50 = 3.2 uM | 1S9 | C24 H20 N4 O5 | COc1cc2c(c.... |
5 | 4KPZ | - | 1SF | C10 H9 N3 O4 | c1cc(cc(c1.... |
6 | 2V0I | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
7 | 2V0L | - | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
8 | 2V0J | - | H2U | C9 H15 N2 O9 P | C1CN(C(=O).... |
9 | 4KPX | ic50 = 0.05 uM | 1SE | C19 H14 N4 O5 | c1ccnc(c1).... |
10 | 4KNR | ic50 = 1.8 uM | 1S8 | C29 H24 N4 O3 | COc1cc2c(c.... |
11 | 2VD4 | ic50 = 18 uM | P21 | C24 H31 Cl N2 O2 | COCCCN([C@.... |
12 | 4KQL | ic50 = 0.0017 uM | 1SG | C24 H19 N5 O5 | COc1cc(cc(.... |
13 | 1HV9 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
14 | 2OI6 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
15 | 2OI5 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4AA7 | ic50 = 2 uM | R82 | C19 H22 N2 O5 S | C[C@@H]1Cc.... |
2 | 3TWD | ic50 = 0.018 uM | GOB | C24 H25 N3 O7 S | COc1cc(c(c.... |
3 | 1FWY | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
4 | 2V0K | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
5 | 4E1K | Kd = 0.5 uM | 0N5 | C22 H18 N4 O3 | COc1cc2c(c.... |
6 | 4KNX | ic50 = 3.2 uM | 1S9 | C24 H20 N4 O5 | COc1cc2c(c.... |
7 | 4KPZ | - | 1SF | C10 H9 N3 O4 | c1cc(cc(c1.... |
8 | 2V0I | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
9 | 2V0L | - | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
10 | 2V0J | - | H2U | C9 H15 N2 O9 P | C1CN(C(=O).... |
11 | 4KPX | ic50 = 0.05 uM | 1SE | C19 H14 N4 O5 | c1ccnc(c1).... |
12 | 4KNR | ic50 = 1.8 uM | 1S8 | C29 H24 N4 O3 | COc1cc2c(c.... |
13 | 2VD4 | ic50 = 18 uM | P21 | C24 H31 Cl N2 O2 | COCCCN([C@.... |
14 | 4KQL | ic50 = 0.0017 uM | 1SG | C24 H19 N5 O5 | COc1cc(cc(.... |
15 | 1HV9 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
16 | 2OI6 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
17 | 2OI5 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
18 | 1HM9 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
19 | 1HM8 | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
20 | 4AAW | ic50 = 0.5 uM | R84 | C29 H37 N3 O11 S | COc1cc(c(c.... |
21 | 1G97 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
22 | 4AC3 | ic50 = 110 uM | R83 | C22 H29 N3 O5 S | CC(=O)Nc1c.... |
23 | 3DJ4 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
24 | 4G87 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
25 | 6GE9 | Kd = 250 uM | 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 | COS | 0.898305 | 0.944444 |
4 | CAO | 0.898305 | 0.934066 |
5 | 2MC | 0.893443 | 0.945652 |
6 | OXK | 0.892562 | 0.966292 |
7 | MC4 | 0.887097 | 0.935484 |
8 | 1VU | 0.885246 | 0.977528 |
9 | CO6 | 0.885246 | 0.988636 |
10 | CAA | 0.879032 | 0.977273 |
11 | SOP | 0.877049 | 0.966292 |
12 | IVC | 0.870968 | 0.977273 |
13 | MLC | 0.870968 | 0.966292 |
14 | 3HC | 0.870968 | 0.977273 |
15 | BCO | 0.870968 | 0.966292 |
16 | 1HE | 0.870968 | 0.966667 |
17 | FYN | 0.868852 | 0.965909 |
18 | KFV | 0.865079 | 0.90625 |
19 | COO | 0.864 | 0.966292 |
20 | MCA | 0.864 | 0.977528 |
21 | COK | 0.861789 | 0.944444 |
22 | SCA | 0.857143 | 0.966292 |
23 | YXS | 0.857143 | 0.896907 |
24 | COA | 0.857143 | 0.965909 |
25 | YXR | 0.857143 | 0.896907 |
26 | 0T1 | 0.857143 | 0.94382 |
27 | DCA | 0.855932 | 0.94382 |
28 | CMC | 0.854839 | 0.944444 |
29 | 30N | 0.85124 | 0.885417 |
30 | BYC | 0.850394 | 0.966292 |
31 | IRC | 0.850394 | 0.977273 |
32 | 1GZ | 0.850394 | 0.955556 |
33 | COW | 0.850394 | 0.955556 |
34 | HGG | 0.850394 | 0.966292 |
35 | BCA | 0.84375 | 0.955556 |
36 | FAQ | 0.84375 | 0.966292 |
37 | 2CP | 0.84252 | 0.955556 |
38 | A1S | 0.84127 | 0.966292 |
39 | ETB | 0.840336 | 0.932584 |
40 | GRA | 0.837209 | 0.966292 |
41 | HXC | 0.837209 | 0.988764 |
42 | AMX | 0.836066 | 0.954545 |
43 | TGC | 0.830769 | 0.955556 |
44 | CMX | 0.829268 | 0.94382 |
45 | SCO | 0.829268 | 0.94382 |
46 | 2NE | 0.824427 | 0.945055 |
47 | 1CZ | 0.824427 | 0.955556 |
48 | CO8 | 0.824427 | 0.988764 |
49 | FAM | 0.822581 | 0.923077 |
50 | FCX | 0.822581 | 0.913043 |
51 | 3CP | 0.821705 | 0.944444 |
52 | COF | 0.821705 | 0.923913 |
53 | 2KQ | 0.821705 | 0.988764 |
54 | UCC | 0.818182 | 0.988764 |
55 | DCC | 0.818182 | 0.988764 |
56 | 5F9 | 0.818182 | 0.988764 |
57 | ST9 | 0.818182 | 0.988764 |
58 | MFK | 0.818182 | 0.988764 |
59 | MYA | 0.818182 | 0.988764 |
60 | HAX | 0.816 | 0.923077 |
61 | 4CA | 0.815385 | 0.934066 |
62 | 7L1 | 0.814516 | 1 |
63 | CS8 | 0.80597 | 0.977778 |
64 | WCA | 0.80597 | 0.945055 |
65 | SCD | 0.804688 | 0.94382 |
66 | KGP | 0.80315 | 0.896907 |
67 | CA6 | 0.80315 | 0.896907 |
68 | YZS | 0.80315 | 0.896907 |
69 | MCD | 0.80315 | 0.966292 |
70 | 4KX | 0.8 | 0.934783 |
71 | HDC | 0.8 | 0.988764 |
72 | KGJ | 0.79845 | 0.885417 |
73 | CIC | 0.796992 | 0.944444 |
74 | NMX | 0.796875 | 0.875 |
75 | MRS | 0.794118 | 0.988764 |
76 | MRR | 0.794118 | 0.988764 |
77 | 0FQ | 0.791045 | 0.944444 |
78 | 4CO | 0.791045 | 0.934066 |
79 | CAJ | 0.790698 | 0.944444 |
80 | J5H | 0.788321 | 0.966292 |
81 | YNC | 0.788321 | 0.955556 |
82 | DAK | 0.788321 | 0.934783 |
83 | 0ET | 0.785185 | 0.966667 |
84 | 01A | 0.785185 | 0.904255 |
85 | 8Z2 | 0.782609 | 0.977778 |
86 | HFQ | 0.781022 | 0.923913 |
87 | KGA | 0.780303 | 0.876289 |
88 | 1CV | 0.779412 | 0.966292 |
89 | YE1 | 0.778626 | 0.933333 |
90 | LCV | 0.778626 | 0.887755 |
91 | SO5 | 0.778626 | 0.887755 |
92 | UOQ | 0.773723 | 0.966667 |
93 | NHW | 0.773723 | 0.966667 |
94 | NHM | 0.773723 | 0.966667 |
95 | CA8 | 0.766917 | 0.877551 |
96 | F8G | 0.762238 | 0.946237 |
97 | 1HA | 0.760563 | 0.945055 |
98 | NHQ | 0.746479 | 0.955056 |
99 | S0N | 0.744526 | 0.923077 |
100 | CCQ | 0.744526 | 0.945652 |
101 | 01K | 0.743056 | 0.966292 |
102 | COT | 0.737931 | 0.944444 |
103 | CA3 | 0.727891 | 0.944444 |
104 | UCA | 0.721854 | 0.988764 |
105 | CO7 | 0.713235 | 0.966292 |
106 | CA5 | 0.703947 | 0.904255 |
107 | 93P | 0.699346 | 0.934066 |
108 | COD | 0.692913 | 0.954545 |
109 | RMW | 0.69281 | 0.945055 |
110 | N9V | 0.671329 | 0.913043 |
111 | 93M | 0.666667 | 0.934066 |
112 | 5TW | 0.656627 | 0.946237 |
113 | 4BN | 0.656627 | 0.946237 |
114 | BUA COA | 0.652482 | 0.933333 |
115 | OXT | 0.634731 | 0.946237 |
116 | COA FLC | 0.632353 | 0.932584 |
117 | 6NA COA | 0.630137 | 0.955556 |
118 | HMG | 0.62585 | 0.933333 |
119 | DAO COA | 0.61745 | 0.955556 |
120 | DKA COA | 0.61745 | 0.955556 |
121 | EO3 COA | 0.61745 | 0.955556 |
122 | MYR COA | 0.61745 | 0.955556 |
123 | PLM COA | 0.61745 | 0.955556 |
124 | X90 COA | 0.61745 | 0.955556 |
125 | DCR COA | 0.61745 | 0.955556 |
126 | JBT | 0.609195 | 0.926316 |
127 | BSJ | 0.594118 | 0.913979 |
128 | PAP | 0.577586 | 0.784091 |
129 | ASP ASP ASP ILE NH2 CMC | 0.557576 | 0.902174 |
130 | PPS | 0.53719 | 0.729167 |
131 | RFC | 0.53125 | 0.966667 |
132 | SFC | 0.53125 | 0.966667 |
133 | A3P | 0.525862 | 0.772727 |
134 | ACE SER ASP ALY THR NH2 COA | 0.511111 | 0.923077 |
135 | MET VAL ASN ALA CMC | 0.50838 | 0.923077 |
136 | 0WD | 0.503497 | 0.763441 |
137 | 5AD NJS | 0.479532 | 0.904255 |
138 | ACE MET LEU GLY PRO NH2 COA | 0.466321 | 0.923077 |
139 | PTJ | 0.462687 | 0.842697 |
140 | 3AM | 0.461538 | 0.761364 |
141 | 3OD | 0.451852 | 0.797753 |
142 | A22 | 0.450382 | 0.786517 |
143 | PUA | 0.447368 | 0.793478 |
144 | A2D | 0.446281 | 0.775281 |
145 | PAJ | 0.443609 | 0.853933 |
146 | HQG | 0.442748 | 0.786517 |
147 | ATR | 0.440945 | 0.772727 |
148 | AGS | 0.440945 | 0.8 |
149 | OAD | 0.437037 | 0.797753 |
150 | 9BG | 0.436242 | 0.763441 |
151 | ADP | 0.435484 | 0.795455 |
152 | UBG | 0.434524 | 0.817204 |
153 | A2R | 0.431818 | 0.786517 |
154 | 8LE | 0.430769 | 0.820225 |
155 | BA3 | 0.427419 | 0.775281 |
156 | 9X8 | 0.426471 | 0.8 |
157 | NA7 | 0.426471 | 0.829545 |
158 | ATP | 0.425197 | 0.795455 |
159 | HEJ | 0.425197 | 0.795455 |
160 | AP5 | 0.424 | 0.775281 |
161 | B4P | 0.424 | 0.775281 |
162 | ADQ | 0.422222 | 0.777778 |
163 | AR6 | 0.421875 | 0.775281 |
164 | APR | 0.421875 | 0.775281 |
165 | 2A5 | 0.421875 | 0.818182 |
166 | 5FA | 0.421875 | 0.795455 |
167 | AQP | 0.421875 | 0.795455 |
168 | 48N | 0.42069 | 0.802198 |
169 | AN2 | 0.420635 | 0.786517 |
170 | FYA | 0.42029 | 0.786517 |
171 | JNT | 0.419118 | 0.818182 |
172 | 8LQ | 0.41791 | 0.808989 |
173 | QA7 | 0.41791 | 0.820225 |
174 | M33 | 0.417323 | 0.786517 |
175 | SRP | 0.413534 | 0.808989 |
176 | ANP | 0.412214 | 0.777778 |
177 | YLB | 0.412162 | 0.877778 |
178 | FA5 | 0.411348 | 0.788889 |
179 | YLP | 0.410959 | 0.877778 |
180 | ME8 | 0.410072 | 0.835165 |
181 | AT4 | 0.409449 | 0.808989 |
182 | APU | 0.409396 | 0.76087 |
183 | 5AL | 0.409091 | 0.786517 |
184 | 7D3 | 0.408 | 0.766667 |
185 | F2R | 0.407895 | 0.836957 |
186 | NJP | 0.407895 | 0.78022 |
187 | AD9 | 0.407692 | 0.777778 |
188 | 25L | 0.407143 | 0.786517 |
189 | CA0 | 0.40625 | 0.777778 |
190 | 7D4 | 0.40625 | 0.766667 |
191 | ATF | 0.406015 | 0.769231 |
192 | A2P | 0.404762 | 0.761364 |
193 | 8QN | 0.404412 | 0.786517 |
194 | 9ZA | 0.404412 | 0.791209 |
195 | 9ZD | 0.404412 | 0.791209 |
196 | LAQ | 0.40411 | 0.815217 |
197 | NDP | 0.403974 | 0.763441 |
198 | KG4 | 0.403101 | 0.777778 |
199 | ACP | 0.403101 | 0.797753 |
200 | 8LH | 0.402985 | 0.808989 |
201 | ACQ | 0.401515 | 0.797753 |
202 | ATP A A A | 0.401408 | 0.744444 |
203 | ATP A | 0.401408 | 0.744444 |
204 | PAX | 0.4 | 0.768421 |
205 | 1ZZ | 0.4 | 0.855556 |
206 | NB8 | 0.4 | 0.782609 |
207 | TXA | 0.4 | 0.788889 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UD2 | 1 | 1 |
2 | UD1 | 1 | 1 |
3 | UDZ | 0.8 | 0.893333 |
4 | HP7 | 0.793814 | 0.985294 |
5 | EPZ | 0.75 | 0.985507 |
6 | EEB | 0.742857 | 0.971429 |
7 | EPU | 0.742857 | 0.971429 |
8 | F5P | 0.742574 | 0.957143 |
9 | F5G | 0.742574 | 0.971014 |
10 | UD4 | 0.742574 | 0.957143 |
11 | UPG | 0.73913 | 0.985294 |
12 | GDU | 0.73913 | 0.985294 |
13 | UFM | 0.73913 | 0.985294 |
14 | UD7 | 0.722772 | 0.971014 |
15 | MJZ | 0.715686 | 0.957143 |
16 | UPF | 0.697917 | 0.930556 |
17 | U2F | 0.697917 | 0.930556 |
18 | UMA | 0.690265 | 0.985507 |
19 | UDM | 0.683168 | 0.957143 |
20 | UFG | 0.663265 | 0.930556 |
21 | HWU | 0.660377 | 0.943662 |
22 | 12V | 0.660377 | 0.943662 |
23 | AWU | 0.659794 | 0.985294 |
24 | U20 | 0.655462 | 0.871795 |
25 | U21 | 0.655462 | 0.871795 |
26 | U22 | 0.655462 | 0.85 |
27 | UGA | 0.65 | 0.970588 |
28 | UGB | 0.65 | 0.970588 |
29 | USQ | 0.633663 | 0.835443 |
30 | UAD | 0.63 | 0.956522 |
31 | UDX | 0.63 | 0.956522 |
32 | UGF | 0.627451 | 0.916667 |
33 | UDP | 0.622222 | 0.927536 |
34 | UTP | 0.619565 | 0.927536 |
35 | UAG | 0.617188 | 0.931507 |
36 | U5F | 0.612903 | 0.927536 |
37 | URM | 0.6 | 0.942857 |
38 | 660 | 0.6 | 0.942857 |
39 | G3N | 0.596154 | 0.929577 |
40 | UPU | 0.587629 | 0.955882 |
41 | 4RA | 0.584615 | 0.87013 |
42 | UNP | 0.583333 | 0.901408 |
43 | 3UC | 0.575472 | 0.930556 |
44 | UML | 0.564286 | 0.871795 |
45 | IUG | 0.561404 | 0.825 |
46 | U5P | 0.555556 | 0.913043 |
47 | U | 0.555556 | 0.913043 |
48 | UDP GAL | 0.552381 | 0.956522 |
49 | UD0 | 0.552239 | 0.858974 |
50 | UPP | 0.543689 | 0.928571 |
51 | UDH | 0.543689 | 0.855263 |
52 | 2KH | 0.530612 | 0.901408 |
53 | 44P | 0.521277 | 0.888889 |
54 | C5G | 0.518519 | 0.930556 |
55 | UDP UDP | 0.505155 | 0.898551 |
56 | Y6W | 0.504673 | 0.90411 |
57 | 2QR | 0.485075 | 0.860759 |
58 | 2GW | 0.482759 | 0.943662 |
59 | URI | 0.477273 | 0.852941 |
60 | UP5 | 0.47541 | 0.844156 |
61 | PMP UD1 | 0.467626 | 0.848101 |
62 | 1GW | 0.467213 | 0.905405 |
63 | CJB | 0.461538 | 0.838235 |
64 | UAG API | 0.457516 | 0.87013 |
65 | 4TC | 0.456 | 0.822785 |
66 | CSQ | 0.452991 | 0.866667 |
67 | CSV | 0.452991 | 0.866667 |
68 | U3P | 0.447917 | 0.898551 |
69 | UA3 | 0.447917 | 0.898551 |
70 | GN1 | 0.444444 | 0.753623 |
71 | NG1 | 0.444444 | 0.753623 |
72 | C30 | 0.433628 | 0.696203 |
73 | Q5S | 0.433628 | 0.696203 |
74 | FZK | 0.431193 | 0.771084 |
75 | PUP | 0.429825 | 0.875 |
76 | LSU | 0.428571 | 0.732558 |
77 | CXY | 0.422414 | 0.90411 |
78 | U2P | 0.418367 | 0.913043 |
79 | UMA FGA LYS DAL DAL | 0.414634 | 0.8375 |
80 | U1S | 0.409091 | 0.789474 |
81 | FN5 | 0.40458 | 0.883117 |
82 | YSU | 0.403361 | 0.741176 |
83 | DAU | 0.403361 | 0.905405 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1hv9.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1hv9.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1hv9.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1hv9.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1hv9.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1hv9.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1hv9.bio3) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1hv9.bio3) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 1hv9.bio3) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 1hv9.bio3) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 1hv9.bio3) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 1hv9.bio3) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 13) in the query (biounit: 1hv9.bio2) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 14) in the query (biounit: 1hv9.bio2) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 15) in the query (biounit: 1hv9.bio2) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 16) in the query (biounit: 1hv9.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 17) in the query (biounit: 1hv9.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 18) in the query (biounit: 1hv9.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |