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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 2 families. | |||||
1 | 5WC4 | - | BU4 | C4 H10 O2 | C[C@H](CCO.... |
2 | 5W8Q | - | BU4 | C4 H10 O2 | C[C@H](CCO.... |
3 | 1U0W | - | STL | C14 H12 O3 | c1cc(ccc1C.... |
4 | 1CHW | - | HXC | C27 H46 N7 O17 P3 S | CCCCCC(=O).... |
5 | 1D6H | Kd = 128 nM | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
6 | 1CGZ | - | STL | C14 H12 O3 | c1cc(ccc1C.... |
7 | 1CML | - | MLC | C24 H38 N7 O19 P3 S | CC(C)(CO[P.... |
8 | 1BQ6 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
9 | 1CGK | - | NAR | C15 H12 O5 | c1cc(ccc1[.... |
10 | 2D3M | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
11 | 2D52 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
12 | 5WX6 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
13 | 5WX7 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
14 | 5WX3 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
15 | 1EE0 | - | CAA | C25 H40 N7 O18 P3 S | CC(=O)CC(=.... |
16 | 7BUR | - | NAR | C15 H12 O5 | c1cc(ccc1[.... |
17 | 3AWJ | - | 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 2 families. | |||||
1 | 5WC4 | - | BU4 | C4 H10 O2 | C[C@H](CCO.... |
2 | 5W8Q | - | BU4 | C4 H10 O2 | C[C@H](CCO.... |
3 | 1U0W | - | STL | C14 H12 O3 | c1cc(ccc1C.... |
4 | 1CHW | - | HXC | C27 H46 N7 O17 P3 S | CCCCCC(=O).... |
5 | 1D6H | Kd = 128 nM | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
6 | 1CGZ | - | STL | C14 H12 O3 | c1cc(ccc1C.... |
7 | 1CML | - | MLC | C24 H38 N7 O19 P3 S | CC(C)(CO[P.... |
8 | 1BQ6 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
9 | 1CGK | - | NAR | C15 H12 O5 | c1cc(ccc1[.... |
10 | 2D3M | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
11 | 2D52 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
12 | 5WX6 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
13 | 5WX7 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
14 | 5WX3 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
15 | 1EE0 | - | CAA | C25 H40 N7 O18 P3 S | CC(=O)CC(=.... |
16 | 7BUR | - | NAR | C15 H12 O5 | c1cc(ccc1[.... |
17 | 3AWJ | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HXC | 1 | 1 |
2 | CO8 | 0.953125 | 1 |
3 | MYA | 0.945736 | 1 |
4 | UCC | 0.945736 | 1 |
5 | 5F9 | 0.945736 | 1 |
6 | ST9 | 0.945736 | 1 |
7 | MFK | 0.945736 | 1 |
8 | DCC | 0.945736 | 1 |
9 | BCO | 0.898438 | 0.977528 |
10 | GRA | 0.878788 | 0.955556 |
11 | 1HE | 0.869231 | 0.956044 |
12 | 1VU | 0.868217 | 0.988764 |
13 | SCA | 0.856061 | 0.955556 |
14 | YNC | 0.855072 | 0.945055 |
15 | IVC | 0.854962 | 0.966292 |
16 | 3HC | 0.854962 | 0.966292 |
17 | CS8 | 0.846715 | 0.988889 |
18 | MLC | 0.840909 | 0.955556 |
19 | HDC | 0.84058 | 1 |
20 | ACO | 0.837209 | 0.988764 |
21 | HGG | 0.835821 | 0.955556 |
22 | CAA | 0.834586 | 0.966292 |
23 | 3KK | 0.824427 | 0.977528 |
24 | COS | 0.821705 | 0.934066 |
25 | CAO | 0.821705 | 0.923913 |
26 | OXK | 0.818182 | 0.955556 |
27 | FAQ | 0.816176 | 0.955556 |
28 | 0T1 | 0.8125 | 0.955056 |
29 | CO6 | 0.81203 | 0.977528 |
30 | 2MC | 0.80597 | 0.935484 |
31 | TGC | 0.804348 | 0.945055 |
32 | MC4 | 0.801471 | 0.925532 |
33 | FYN | 0.796992 | 0.955056 |
34 | DCA | 0.796875 | 0.955056 |
35 | MRS | 0.795775 | 1 |
36 | MRR | 0.795775 | 1 |
37 | MCA | 0.794118 | 0.966667 |
38 | COO | 0.794118 | 0.955556 |
39 | COK | 0.791045 | 0.934066 |
40 | SOP | 0.791045 | 0.955556 |
41 | NHM | 0.788732 | 0.977778 |
42 | NHW | 0.788732 | 0.977778 |
43 | UOQ | 0.788732 | 0.977778 |
44 | YXR | 0.788321 | 0.887755 |
45 | YXS | 0.788321 | 0.887755 |
46 | 0ET | 0.787234 | 0.977778 |
47 | CMC | 0.785185 | 0.934066 |
48 | 8Z2 | 0.784722 | 0.988889 |
49 | COA | 0.784615 | 0.955056 |
50 | BYC | 0.782609 | 0.955556 |
51 | IRC | 0.782609 | 0.966292 |
52 | KFV | 0.782609 | 0.896907 |
53 | COW | 0.782609 | 0.945055 |
54 | 1GZ | 0.782609 | 0.945055 |
55 | 30N | 0.780303 | 0.876289 |
56 | AMX | 0.780303 | 0.94382 |
57 | CAJ | 0.779412 | 0.955556 |
58 | BCA | 0.776978 | 0.945055 |
59 | CMX | 0.774436 | 0.933333 |
60 | A1S | 0.773723 | 0.955556 |
61 | 2NE | 0.77305 | 0.934783 |
62 | COF | 0.769784 | 0.913979 |
63 | 3CP | 0.769784 | 0.934066 |
64 | ETB | 0.769231 | 0.922222 |
65 | 6NA COA | 0.765957 | 0.966667 |
66 | HAX | 0.762963 | 0.913043 |
67 | 2CP | 0.76259 | 0.945055 |
68 | SCO | 0.761194 | 0.933333 |
69 | 1CZ | 0.760563 | 0.945055 |
70 | 2KQ | 0.757143 | 0.977778 |
71 | FAM | 0.755556 | 0.913043 |
72 | FCX | 0.755556 | 0.903226 |
73 | SCD | 0.753623 | 0.933333 |
74 | CA6 | 0.751825 | 0.887755 |
75 | MCD | 0.751825 | 0.955556 |
76 | 4CA | 0.751773 | 0.923913 |
77 | NMX | 0.746377 | 0.865979 |
78 | WCA | 0.744828 | 0.934783 |
79 | J5H | 0.741497 | 0.955556 |
80 | 4KX | 0.739726 | 0.924731 |
81 | YZS | 0.73913 | 0.887755 |
82 | KGP | 0.73913 | 0.887755 |
83 | CCQ | 0.736111 | 0.935484 |
84 | CIC | 0.736111 | 0.934066 |
85 | 4CO | 0.731034 | 0.923913 |
86 | 0FQ | 0.731034 | 0.934066 |
87 | DAK | 0.72973 | 0.924731 |
88 | EO3 COA | 0.726027 | 0.966667 |
89 | X90 COA | 0.726027 | 0.966667 |
90 | PLM COA | 0.726027 | 0.966667 |
91 | DAO COA | 0.726027 | 0.966667 |
92 | MYR COA | 0.726027 | 0.966667 |
93 | DCR COA | 0.726027 | 0.966667 |
94 | DKA COA | 0.726027 | 0.966667 |
95 | 01A | 0.726027 | 0.894737 |
96 | KGJ | 0.723404 | 0.876289 |
97 | HFQ | 0.722973 | 0.913979 |
98 | 1CV | 0.721088 | 0.955556 |
99 | CA8 | 0.72028 | 0.868687 |
100 | YE1 | 0.71831 | 0.923077 |
101 | LCV | 0.71831 | 0.878788 |
102 | SO5 | 0.71831 | 0.878788 |
103 | 1HA | 0.717105 | 0.934783 |
104 | NHQ | 0.715232 | 0.944444 |
105 | UCA | 0.71519 | 0.977778 |
106 | S0N | 0.712329 | 0.913043 |
107 | KGA | 0.708333 | 0.867347 |
108 | 01K | 0.701299 | 0.955556 |
109 | F8G | 0.696774 | 0.93617 |
110 | CA3 | 0.687898 | 0.934066 |
111 | COT | 0.685897 | 0.934066 |
112 | 7L1 | 0.685714 | 0.988764 |
113 | BUA COA | 0.682759 | 0.944444 |
114 | CA5 | 0.666667 | 0.894737 |
115 | CO7 | 0.659864 | 0.955556 |
116 | RMW | 0.656442 | 0.934783 |
117 | 93P | 0.652439 | 0.923913 |
118 | 93M | 0.642857 | 0.923913 |
119 | COD | 0.637681 | 0.94382 |
120 | N9V | 0.633987 | 0.923913 |
121 | HMG | 0.612903 | 0.923077 |
122 | 5TW | 0.606742 | 0.93617 |
123 | 4BN | 0.606742 | 0.93617 |
124 | OXT | 0.60452 | 0.93617 |
125 | JBT | 0.598901 | 0.916667 |
126 | COA FLC | 0.585034 | 0.922222 |
127 | BSJ | 0.566667 | 0.904255 |
128 | ASP ASP ASP ILE NH2 CMC | 0.54023 | 0.913043 |
129 | PAP | 0.527559 | 0.775281 |
130 | RFC | 0.497076 | 0.956044 |
131 | SFC | 0.497076 | 0.956044 |
132 | PPS | 0.492424 | 0.721649 |
133 | ACE SER ASP ALY THR NH2 COA | 0.489474 | 0.913043 |
134 | MET VAL ASN ALA CMC | 0.486772 | 0.913043 |
135 | A3P | 0.480315 | 0.764045 |
136 | 0WD | 0.477124 | 0.755319 |
137 | ACE MET LEU GLY PRO NH2 COA | 0.455446 | 0.913043 |
138 | 5AD NJS | 0.450549 | 0.894737 |
139 | PTJ | 0.4375 | 0.833333 |
140 | 1ZZ | 0.4375 | 0.866667 |
141 | OMR | 0.431373 | 0.877778 |
142 | PUA | 0.425926 | 0.784946 |
143 | 3AM | 0.421875 | 0.752809 |
144 | PAJ | 0.41958 | 0.844444 |
145 | YLB | 0.419355 | 0.888889 |
146 | MDE | 0.418848 | 0.978022 |
147 | A22 | 0.415493 | 0.777778 |
148 | S2N | 0.412587 | 0.688889 |
149 | A2D | 0.409091 | 0.766667 |
150 | YLP | 0.409091 | 0.888889 |
151 | HQG | 0.408451 | 0.777778 |
152 | 3OD | 0.408163 | 0.788889 |
153 | UBG | 0.407821 | 0.808511 |
154 | 8LE | 0.407143 | 0.811111 |
155 | 9BG | 0.40625 | 0.755319 |
156 | AGS | 0.405797 | 0.791209 |
157 | ATR | 0.405797 | 0.764045 |
158 | NA7 | 0.40411 | 0.820225 |
159 | LAQ | 0.402597 | 0.806452 |
160 | PSR | 0.401515 | 0.674157 |
161 | WAQ | 0.401361 | 0.822222 |
162 | ADP | 0.4 | 0.786517 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1d6h.bio1) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1d6h.bio1) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |