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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 3 families. | |||||
1 | 1CSS | Ki = 0.8 uM | FCX | C23 H37 F N7 O18 P3 | CC(C)(CO[P.... |
2 | 1CSR | Ki = 42 nM | FAM | C23 H38 F N8 O17 P3 | CC(C)(CO[P.... |
3 | 1CSH | Ki = 28 nM | AMX | C23 H39 N8 O17 P3 | CC(C)(CO[P.... |
4 | 2CSC | - | MLT | C4 H6 O5 | C([C@H](C(.... |
5 | 6CSC | - | COF | C24 H37 F3 N7 O17 P3 S | CC(C)(CO[P.... |
6 | 1CSI | Ki = 1.6 nM | CMX | C23 H38 N7 O18 P3 | CC(C)(CO[P.... |
7 | 3CSC | - | LMR | C4 H6 O5 | C([C@@H](C.... |
8 | 2CTS | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
9 | 5CTS | - | OAA | C4 H3 O5 | C(C(=O)C(=.... |
10 | 4CSC | - | MLT | C4 H6 O5 | C([C@H](C(.... |
11 | 1CSC | - | LMR | C4 H6 O5 | C([C@@H](C.... |
12 | 1AL6 | - | OAA | C4 H3 O5 | C(C(=O)C(=.... |
13 | 6CTS | - | CIC | C27 H44 N7 O21 P3 S | CC(C)(CO[P.... |
14 | 1AMZ | - | MLT | C4 H6 O5 | C([C@H](C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1CSS | Ki = 0.8 uM | FCX | C23 H37 F N7 O18 P3 | CC(C)(CO[P.... |
2 | 1CSR | Ki = 42 nM | FAM | C23 H38 F N8 O17 P3 | CC(C)(CO[P.... |
3 | 1CSH | Ki = 28 nM | AMX | C23 H39 N8 O17 P3 | CC(C)(CO[P.... |
4 | 2CSC | - | MLT | C4 H6 O5 | C([C@H](C(.... |
5 | 6CSC | - | COF | C24 H37 F3 N7 O17 P3 S | CC(C)(CO[P.... |
6 | 1CSI | Ki = 1.6 nM | CMX | C23 H38 N7 O18 P3 | CC(C)(CO[P.... |
7 | 3CSC | - | LMR | C4 H6 O5 | C([C@@H](C.... |
8 | 2CTS | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
9 | 5CTS | - | OAA | C4 H3 O5 | C(C(=O)C(=.... |
10 | 4CSC | - | MLT | C4 H6 O5 | C([C@H](C(.... |
11 | 1CSC | - | LMR | C4 H6 O5 | C([C@@H](C.... |
12 | 1AL6 | - | OAA | C4 H3 O5 | C(C(=O)C(=.... |
13 | 6CTS | - | CIC | C27 H44 N7 O21 P3 S | CC(C)(CO[P.... |
14 | 1AMZ | - | MLT | C4 H6 O5 | C([C@H](C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AMX | 1 | 1 |
2 | CMX | 0.905983 | 0.988235 |
3 | HAX | 0.890756 | 0.965517 |
4 | MCD | 0.876033 | 0.965517 |
5 | 0T1 | 0.871795 | 0.988235 |
6 | COA | 0.871795 | 0.988235 |
7 | DCA | 0.87069 | 0.965116 |
8 | SCD | 0.861789 | 0.988235 |
9 | CA6 | 0.860656 | 0.875 |
10 | ETB | 0.854701 | 0.931035 |
11 | NMX | 0.853659 | 0.913043 |
12 | CAO | 0.85 | 0.954545 |
13 | 30N | 0.85 | 0.903226 |
14 | COS | 0.85 | 0.965517 |
15 | CAJ | 0.846774 | 0.965517 |
16 | SCO | 0.842975 | 0.988235 |
17 | ACO | 0.836066 | 0.954545 |
18 | FCX | 0.836066 | 0.954545 |
19 | FAM | 0.836066 | 0.965517 |
20 | FYN | 0.822581 | 0.988235 |
21 | 3KK | 0.822581 | 0.965517 |
22 | CA8 | 0.820312 | 0.875 |
23 | KGP | 0.816 | 0.875 |
24 | COK | 0.816 | 0.965517 |
25 | OXK | 0.816 | 0.965517 |
26 | YZS | 0.816 | 0.875 |
27 | SOP | 0.816 | 0.965517 |
28 | KGJ | 0.811024 | 0.903226 |
29 | A1S | 0.811024 | 0.965517 |
30 | CMC | 0.809524 | 0.965517 |
31 | 1VU | 0.809524 | 0.954545 |
32 | CO6 | 0.809524 | 0.965517 |
33 | 3CP | 0.806202 | 0.965517 |
34 | 2MC | 0.80315 | 0.923077 |
35 | BCO | 0.796875 | 0.965517 |
36 | 3HC | 0.796875 | 0.976744 |
37 | 1HE | 0.796875 | 0.94382 |
38 | MLC | 0.796875 | 0.965517 |
39 | IVC | 0.796875 | 0.976744 |
40 | KGA | 0.792308 | 0.893617 |
41 | KFV | 0.792308 | 0.884211 |
42 | LCV | 0.790698 | 0.865979 |
43 | YE1 | 0.790698 | 0.976744 |
44 | COO | 0.790698 | 0.965517 |
45 | SO5 | 0.790698 | 0.865979 |
46 | MCA | 0.790698 | 0.954545 |
47 | CAA | 0.790698 | 0.976744 |
48 | MC4 | 0.784615 | 0.913043 |
49 | YXS | 0.784615 | 0.875 |
50 | SCA | 0.784615 | 0.965517 |
51 | YXR | 0.784615 | 0.875 |
52 | 2CP | 0.784615 | 0.954545 |
53 | GRA | 0.780303 | 0.965517 |
54 | HXC | 0.780303 | 0.94382 |
55 | BYC | 0.778626 | 0.965517 |
56 | 1GZ | 0.778626 | 0.954545 |
57 | COF | 0.778626 | 0.94382 |
58 | 2KQ | 0.778626 | 0.94382 |
59 | IRC | 0.778626 | 0.976744 |
60 | HGG | 0.778626 | 0.965517 |
61 | COW | 0.778626 | 0.954545 |
62 | BCA | 0.772727 | 0.954545 |
63 | FAQ | 0.772727 | 0.965517 |
64 | 4CA | 0.772727 | 0.954545 |
65 | CO8 | 0.768657 | 0.94382 |
66 | CIC | 0.768657 | 0.965517 |
67 | CS8 | 0.764706 | 0.933333 |
68 | ST9 | 0.762963 | 0.94382 |
69 | UCC | 0.762963 | 0.94382 |
70 | MFK | 0.762963 | 0.94382 |
71 | 5F9 | 0.762963 | 0.94382 |
72 | MYA | 0.762963 | 0.94382 |
73 | DCC | 0.762963 | 0.94382 |
74 | TGC | 0.761194 | 0.954545 |
75 | 0ET | 0.757353 | 0.94382 |
76 | 1CZ | 0.755556 | 0.954545 |
77 | S0N | 0.755556 | 0.965517 |
78 | 2NE | 0.755556 | 0.94382 |
79 | 0FQ | 0.75 | 0.965517 |
80 | 4CO | 0.75 | 0.954545 |
81 | UOQ | 0.746377 | 0.94382 |
82 | NHW | 0.746377 | 0.94382 |
83 | NHM | 0.746377 | 0.94382 |
84 | HDC | 0.746377 | 0.94382 |
85 | 01A | 0.744526 | 0.923077 |
86 | MRR | 0.741007 | 0.94382 |
87 | MRS | 0.741007 | 0.94382 |
88 | WCA | 0.73913 | 0.94382 |
89 | 1CV | 0.73913 | 0.965517 |
90 | YNC | 0.735714 | 0.954545 |
91 | 4KX | 0.733813 | 0.933333 |
92 | NHQ | 0.732394 | 0.976744 |
93 | 8Z2 | 0.730496 | 0.933333 |
94 | HFQ | 0.728571 | 0.94382 |
95 | J5H | 0.723404 | 0.965517 |
96 | DAK | 0.723404 | 0.933333 |
97 | 01K | 0.717241 | 0.965517 |
98 | COD | 0.704 | 0.976471 |
99 | CA3 | 0.702703 | 0.965517 |
100 | F8G | 0.70068 | 0.903226 |
101 | 1HA | 0.69863 | 0.94382 |
102 | COT | 0.689189 | 0.965517 |
103 | CCQ | 0.680851 | 0.923077 |
104 | 7L1 | 0.676692 | 0.954545 |
105 | 93P | 0.675325 | 0.954545 |
106 | CA5 | 0.658065 | 0.923077 |
107 | 93M | 0.654088 | 0.954545 |
108 | UCA | 0.653846 | 0.94382 |
109 | CO7 | 0.65 | 0.965517 |
110 | COA FLC | 0.641791 | 0.953488 |
111 | N9V | 0.634483 | 0.911111 |
112 | OXT | 0.60355 | 0.903226 |
113 | 4BN | 0.596491 | 0.903226 |
114 | 5TW | 0.596491 | 0.903226 |
115 | JBT | 0.588571 | 0.884211 |
116 | PAP | 0.587719 | 0.821429 |
117 | BSJ | 0.582353 | 0.933333 |
118 | PLM COA | 0.572368 | 0.911111 |
119 | COA PLM | 0.572368 | 0.911111 |
120 | HMG | 0.569536 | 0.931818 |
121 | ASP ASP ASP ILE CMC NH2 | 0.536145 | 0.921348 |
122 | A3P | 0.535088 | 0.809524 |
123 | PPS | 0.533333 | 0.741935 |
124 | 0WD | 0.510638 | 0.797753 |
125 | ACE SER ASP ALY THR NH2 COA | 0.491713 | 0.921348 |
126 | 191 | 0.490323 | 0.85567 |
127 | SFC | 0.481707 | 0.94382 |
128 | RFC | 0.481707 | 0.94382 |
129 | PTJ | 0.469697 | 0.882353 |
130 | 3AM | 0.469565 | 0.797619 |
131 | A22 | 0.457364 | 0.823529 |
132 | A2D | 0.453782 | 0.811765 |
133 | PUA | 0.453333 | 0.829545 |
134 | PAJ | 0.450382 | 0.894118 |
135 | HQG | 0.449612 | 0.823529 |
136 | ATR | 0.448 | 0.809524 |
137 | AGS | 0.448 | 0.795455 |
138 | SAP | 0.448 | 0.795455 |
139 | 3OD | 0.447761 | 0.835294 |
140 | YLB | 0.447552 | 0.918605 |
141 | ADP | 0.442623 | 0.833333 |
142 | 9BG | 0.442177 | 0.797753 |
143 | A2R | 0.438462 | 0.823529 |
144 | 8LE | 0.4375 | 0.858824 |
145 | 48N | 0.43662 | 0.818182 |
146 | YLP | 0.43662 | 0.896552 |
147 | BA3 | 0.434426 | 0.811765 |
148 | NA7 | 0.432836 | 0.869048 |
149 | OAD | 0.432836 | 0.835294 |
150 | F2R | 0.432432 | 0.875 |
151 | ATP | 0.432 | 0.833333 |
152 | HEJ | 0.432 | 0.833333 |
153 | AP5 | 0.430894 | 0.811765 |
154 | B4P | 0.430894 | 0.811765 |
155 | AR6 | 0.428571 | 0.811765 |
156 | 5FA | 0.428571 | 0.833333 |
157 | AQP | 0.428571 | 0.833333 |
158 | 2A5 | 0.428571 | 0.857143 |
159 | APR | 0.428571 | 0.811765 |
160 | AN2 | 0.427419 | 0.823529 |
161 | 8LQ | 0.424242 | 0.847059 |
162 | M33 | 0.424 | 0.823529 |
163 | 9X8 | 0.422222 | 0.795455 |
164 | SRP | 0.419847 | 0.847059 |
165 | NPW | 0.418919 | 0.831461 |
166 | ANP | 0.418605 | 0.813953 |
167 | ADQ | 0.41791 | 0.813953 |
168 | NB8 | 0.416058 | 0.818182 |
169 | 1ZZ | 0.416058 | 0.852273 |
170 | AT4 | 0.416 | 0.804598 |
171 | 5AL | 0.415385 | 0.823529 |
172 | APU | 0.414966 | 0.795455 |
173 | 7D3 | 0.414634 | 0.802326 |
174 | AD9 | 0.414062 | 0.813953 |
175 | NJP | 0.413333 | 0.816092 |
176 | 25L | 0.413043 | 0.823529 |
177 | CA0 | 0.412698 | 0.813953 |
178 | 7D4 | 0.412698 | 0.802326 |
179 | ATF | 0.412214 | 0.804598 |
180 | A A A | 0.411765 | 0.823529 |
181 | A2P | 0.41129 | 0.797619 |
182 | OMR | 0.410959 | 0.863636 |
183 | 8QN | 0.410448 | 0.823529 |
184 | ACP | 0.409449 | 0.835294 |
185 | KG4 | 0.409449 | 0.813953 |
186 | NDP | 0.409396 | 0.797753 |
187 | 8LH | 0.409091 | 0.847059 |
188 | J4G | 0.408759 | 0.858824 |
189 | WAQ | 0.408759 | 0.870588 |
190 | YLC | 0.408163 | 0.895349 |
191 | ACQ | 0.407692 | 0.835294 |
192 | 4AD | 0.407407 | 0.837209 |
193 | A1R | 0.407407 | 0.892857 |
194 | ATP A | 0.407143 | 0.77907 |
195 | ATP A A A | 0.407143 | 0.77907 |
196 | FYA | 0.405797 | 0.823529 |
197 | BIS | 0.405797 | 0.827586 |
198 | TXA | 0.405797 | 0.825581 |
199 | PAX | 0.405063 | 0.802198 |
200 | AMP | 0.404959 | 0.809524 |
201 | A | 0.404959 | 0.809524 |
202 | 00A | 0.404412 | 0.766667 |
203 | DLL | 0.404412 | 0.802326 |
204 | AHX | 0.404412 | 0.83908 |
205 | NAX | 0.40411 | 0.820225 |
206 | DQV | 0.402778 | 0.823529 |
207 | 9ZA | 0.4 | 0.827586 |
208 | 9ZD | 0.4 | 0.827586 |
209 | LAQ | 0.4 | 0.811111 |
210 | OOB | 0.4 | 0.802326 |
211 | 25A | 0.4 | 0.811765 |
This union binding pocket(no: 2) in the query (biounit: 1csi.bio1) has 76 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1csi.bio1) has 76 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |