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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 35 families. | |||||
1 | 5LKT | - | BCO | C25 H42 N7 O17 P3 S | CCCC(=O)SC.... |
2 | 5LKZ | - | COO | C25 H40 N7 O17 P3 S | CC=CC(=O)S.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 25 families. | |||||
1 | 6PGU | ic50 = 20 uM | OK7 | C6 H7 N O S | CC(=O)Nc1c.... |
2 | 6PF1 | ic50 = 39 uM | OJ7 | C15 H10 Cl F3 N2 | Cc1c(c2ccc.... |
3 | 6V90 | ic50 = 0.0088 uM | QSD | C26 H24 N6 O | Cn1cc(cn1).... |
4 | 6V8N | - | QS1 | C27 H26 N6 O | C[C@H](CN[.... |
5 | 3BIY | - | 01K | C31 H53 N10 O19 P3 S | CC(=O)N[C@.... |
6 | 6V8K | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
7 | 4PZR | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
8 | 4PZS | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
9 | 5LKT | - | BCO | C25 H42 N7 O17 P3 S | CCCC(=O)SC.... |
10 | 5LKZ | - | COO | C25 H40 N7 O17 P3 S | CC=CC(=O)S.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | COO | 1 | 1 |
2 | 1GZ | 0.890625 | 0.988636 |
3 | ACO | 0.864 | 0.966292 |
4 | 3KK | 0.850394 | 0.977273 |
5 | COS | 0.848 | 0.955056 |
6 | CAO | 0.848 | 0.944444 |
7 | WCA | 0.844444 | 0.977528 |
8 | OXK | 0.84375 | 0.977273 |
9 | CO6 | 0.837209 | 0.977273 |
10 | 1VU | 0.837209 | 0.966292 |
11 | FYN | 0.835938 | 0.977012 |
12 | 8Z2 | 0.833333 | 0.966667 |
13 | CO7 | 0.832061 | 1 |
14 | 2MC | 0.830769 | 0.956044 |
15 | DAK | 0.826087 | 0.966667 |
16 | 3HC | 0.824427 | 0.988506 |
17 | IVC | 0.824427 | 0.988506 |
18 | BCO | 0.824427 | 0.977273 |
19 | 1HE | 0.824427 | 0.955556 |
20 | MLC | 0.824427 | 0.977273 |
21 | KFV | 0.819549 | 0.895833 |
22 | CAA | 0.818182 | 0.988506 |
23 | MCA | 0.818182 | 0.966292 |
24 | SOP | 0.815385 | 0.955056 |
25 | COK | 0.815385 | 0.955056 |
26 | YXR | 0.81203 | 0.886598 |
27 | YXS | 0.81203 | 0.886598 |
28 | SCA | 0.81203 | 0.977273 |
29 | MC4 | 0.81203 | 0.945652 |
30 | A1S | 0.810606 | 0.955056 |
31 | COA | 0.809524 | 0.977012 |
32 | 0T1 | 0.809524 | 0.954545 |
33 | CMC | 0.80916 | 0.955056 |
34 | DCA | 0.808 | 0.932584 |
35 | 3CP | 0.80597 | 0.955056 |
36 | IRC | 0.80597 | 0.988506 |
37 | BYC | 0.80597 | 0.977273 |
38 | COW | 0.80597 | 0.966292 |
39 | HGG | 0.80597 | 0.977273 |
40 | 30N | 0.804688 | 0.894737 |
41 | FAQ | 0.8 | 0.977273 |
42 | BCA | 0.8 | 0.966292 |
43 | HXC | 0.794118 | 0.955556 |
44 | GRA | 0.794118 | 0.977273 |
45 | ETB | 0.793651 | 0.9 |
46 | AMX | 0.790698 | 0.965517 |
47 | TGC | 0.788321 | 0.966292 |
48 | HAX | 0.78626 | 0.933333 |
49 | 2CP | 0.785185 | 0.944444 |
50 | SCO | 0.784615 | 0.954545 |
51 | CMX | 0.784615 | 0.954545 |
52 | 2NE | 0.782609 | 0.955556 |
53 | 1CZ | 0.782609 | 0.966292 |
54 | CO8 | 0.782609 | 0.955556 |
55 | COF | 0.779412 | 0.934066 |
56 | 2KQ | 0.779412 | 0.955556 |
57 | FCX | 0.778626 | 0.923077 |
58 | FAM | 0.778626 | 0.933333 |
59 | UCC | 0.776978 | 0.955556 |
60 | DCC | 0.776978 | 0.955556 |
61 | MYA | 0.776978 | 0.955556 |
62 | 5F9 | 0.776978 | 0.955556 |
63 | MFK | 0.776978 | 0.955556 |
64 | ST9 | 0.776978 | 0.955556 |
65 | CA6 | 0.774436 | 0.867347 |
66 | 4CA | 0.773723 | 0.944444 |
67 | CIC | 0.769784 | 0.955056 |
68 | CS8 | 0.765957 | 0.945055 |
69 | CAJ | 0.762963 | 0.933333 |
70 | SCD | 0.762963 | 0.954545 |
71 | MCD | 0.761194 | 0.933333 |
72 | YZS | 0.761194 | 0.886598 |
73 | KGP | 0.761194 | 0.886598 |
74 | HDC | 0.760563 | 0.955556 |
75 | 4KX | 0.760563 | 0.966667 |
76 | NMX | 0.755556 | 0.884211 |
77 | MRR | 0.755245 | 0.955556 |
78 | MRS | 0.755245 | 0.955556 |
79 | 4CO | 0.751773 | 0.944444 |
80 | 0FQ | 0.751773 | 0.955056 |
81 | YNC | 0.75 | 0.988636 |
82 | J5H | 0.75 | 0.977273 |
83 | 0ET | 0.746479 | 0.934066 |
84 | 01A | 0.746479 | 0.913979 |
85 | KGJ | 0.744526 | 0.875 |
86 | 1CV | 0.741259 | 0.977273 |
87 | CA8 | 0.741007 | 0.886598 |
88 | SO5 | 0.73913 | 0.877551 |
89 | YE1 | 0.73913 | 0.94382 |
90 | LCV | 0.73913 | 0.877551 |
91 | 1HA | 0.736486 | 0.955556 |
92 | NHW | 0.736111 | 0.934066 |
93 | UOQ | 0.736111 | 0.934066 |
94 | NHM | 0.736111 | 0.934066 |
95 | HFQ | 0.731034 | 0.934066 |
96 | KGA | 0.728571 | 0.865979 |
97 | NHQ | 0.722973 | 0.965909 |
98 | F8G | 0.715232 | 0.935484 |
99 | 01K | 0.708609 | 0.955056 |
100 | S0N | 0.708333 | 0.933333 |
101 | CCQ | 0.708333 | 0.934783 |
102 | 7L1 | 0.705882 | 0.966292 |
103 | CA3 | 0.694805 | 0.955056 |
104 | COT | 0.69281 | 0.955056 |
105 | UCA | 0.689873 | 0.955556 |
106 | RMW | 0.672956 | 0.955556 |
107 | 93P | 0.66875 | 0.944444 |
108 | CA5 | 0.6625 | 0.913979 |
109 | N9V | 0.662162 | 0.944444 |
110 | COD | 0.656716 | 0.965517 |
111 | 93M | 0.648485 | 0.944444 |
112 | BUA COA | 0.621622 | 0.94382 |
113 | 4BN | 0.62069 | 0.935484 |
114 | 5TW | 0.62069 | 0.935484 |
115 | OXT | 0.609195 | 0.914894 |
116 | HMG | 0.607843 | 0.94382 |
117 | COA FLC | 0.601399 | 0.943182 |
118 | 6NA COA | 0.601307 | 0.923077 |
119 | MYR COA | 0.589744 | 0.923077 |
120 | EO3 COA | 0.589744 | 0.923077 |
121 | DAO COA | 0.589744 | 0.923077 |
122 | PLM COA | 0.589744 | 0.923077 |
123 | DCR COA | 0.589744 | 0.923077 |
124 | X90 COA | 0.589744 | 0.923077 |
125 | DKA COA | 0.589744 | 0.923077 |
126 | JBT | 0.585635 | 0.895833 |
127 | BSJ | 0.579545 | 0.923913 |
128 | PAP | 0.544715 | 0.793103 |
129 | ASP ASP ASP ILE NH2 CMC | 0.54386 | 0.912088 |
130 | PPS | 0.519685 | 0.736842 |
131 | RFC | 0.508982 | 0.955556 |
132 | SFC | 0.508982 | 0.955556 |
133 | ACE SER ASP ALY THR NH2 COA | 0.5 | 0.912088 |
134 | A3P | 0.495935 | 0.781609 |
135 | 5AD NJS | 0.485714 | 0.934783 |
136 | MET VAL ASN ALA CMC | 0.481283 | 0.912088 |
137 | 0WD | 0.48 | 0.791209 |
138 | ACE MET LEU GLY PRO NH2 COA | 0.45 | 0.912088 |
139 | PTJ | 0.45 | 0.852273 |
140 | 3AM | 0.435484 | 0.770115 |
141 | PAJ | 0.431655 | 0.863636 |
142 | HQG | 0.430657 | 0.795455 |
143 | PUA | 0.427673 | 0.822222 |
144 | A22 | 0.427536 | 0.795455 |
145 | UBG | 0.425287 | 0.826087 |
146 | A2D | 0.421875 | 0.784091 |
147 | YLC | 0.421053 | 0.886364 |
148 | MDE | 0.420213 | 0.956044 |
149 | 48N | 0.42 | 0.791209 |
150 | 3OD | 0.41958 | 0.806818 |
151 | ATR | 0.41791 | 0.781609 |
152 | AGS | 0.41791 | 0.808989 |
153 | 9BG | 0.416667 | 0.771739 |
154 | ADP | 0.412214 | 0.804598 |
155 | A2R | 0.410072 | 0.795455 |
156 | AN2 | 0.409091 | 0.795455 |
157 | 8LE | 0.408759 | 0.829545 |
158 | JNT | 0.408451 | 0.827586 |
159 | OAD | 0.405594 | 0.806818 |
160 | NA7 | 0.405594 | 0.83908 |
161 | BA3 | 0.40458 | 0.784091 |
162 | HEJ | 0.402985 | 0.804598 |
163 | ATP | 0.402985 | 0.804598 |
164 | YLB | 0.402597 | 0.88764 |
165 | B4P | 0.401515 | 0.784091 |
166 | AP5 | 0.401515 | 0.784091 |
167 | ADQ | 0.401408 | 0.786517 |
168 | KMQ | 0.401361 | 0.797753 |
169 | YLP | 0.401316 | 0.866667 |
170 | 5FA | 0.4 | 0.804598 |
171 | AQP | 0.4 | 0.804598 |
172 | APR | 0.4 | 0.784091 |
173 | AR6 | 0.4 | 0.784091 |
174 | 2A5 | 0.4 | 0.827586 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5lkt.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |