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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 | 5WPJ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
2 | 5WPK | - | HMG | C27 H39 N7 O20 P3 S | C[C@](CC(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6EEV | - | MEV | C6 H11 O4 | C[C@@](CCO.... |
2 | 6DIO | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 6P7K | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
4 | 1R31 | - | MEV | C6 H11 O4 | C[C@@](CCO.... |
5 | 4I4B | - | 1CV | C27 H46 N7 O19 P3 S2 | C[C@@](C[C.... |
6 | 4I6A | - | HMG | C27 H39 N7 O20 P3 S | C[C@](CC(=.... |
7 | 4I6W | - | 1CO | C6 H12 O3 S | C[C@@](CCS.... |
8 | 4I56 | - | 1CZ | C27 H44 N7 O19 P3 S2 | C[C@](CC(=.... |
9 | 4I6Y | - | MEV | C6 H11 O4 | C[C@@](CCO.... |
10 | 5WPJ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
11 | 5WPK | - | HMG | C27 H39 N7 O20 P3 S | C[C@](CC(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HMG | 1 | 1 |
2 | BUA COA | 0.835821 | 0.977012 |
3 | 6NA COA | 0.805755 | 0.955056 |
4 | DAO COA | 0.788732 | 0.955056 |
5 | MYR COA | 0.788732 | 0.955056 |
6 | PLM COA | 0.788732 | 0.955056 |
7 | DKA COA | 0.788732 | 0.955056 |
8 | DCR COA | 0.788732 | 0.955056 |
9 | X90 COA | 0.788732 | 0.955056 |
10 | EO3 COA | 0.788732 | 0.955056 |
11 | COA FLC | 0.780303 | 0.976744 |
12 | ASP ASP ASP ILE NH2 CMC | 0.698113 | 0.965909 |
13 | CCQ | 0.68 | 0.923913 |
14 | 1VU | 0.653061 | 0.933333 |
15 | 3HC | 0.644295 | 0.954545 |
16 | CAA | 0.64 | 0.954545 |
17 | 3KK | 0.639456 | 0.94382 |
18 | ACE SER ASP ALY THR NH2 COA | 0.637931 | 0.965909 |
19 | MET VAL ASN ALA CMC | 0.635838 | 0.94382 |
20 | BCO | 0.633333 | 0.94382 |
21 | IVC | 0.633333 | 0.954545 |
22 | MLC | 0.633333 | 0.965909 |
23 | 1HE | 0.633333 | 0.923077 |
24 | ACO | 0.62585 | 0.933333 |
25 | SCA | 0.625 | 0.965909 |
26 | OXK | 0.624161 | 0.965909 |
27 | HGG | 0.620915 | 0.965909 |
28 | FAQ | 0.616883 | 0.94382 |
29 | 2MC | 0.615894 | 0.903226 |
30 | 1CZ | 0.615385 | 0.955056 |
31 | MC4 | 0.614379 | 0.913979 |
32 | HXC | 0.612903 | 0.923077 |
33 | GRA | 0.612903 | 0.965909 |
34 | COS | 0.612245 | 0.922222 |
35 | CAO | 0.612245 | 0.912088 |
36 | 5AD NJS | 0.612121 | 0.945055 |
37 | KFV | 0.61039 | 0.885417 |
38 | CO6 | 0.609272 | 0.94382 |
39 | TGC | 0.608974 | 0.955056 |
40 | COO | 0.607843 | 0.94382 |
41 | FYN | 0.606667 | 0.943182 |
42 | CO8 | 0.605096 | 0.923077 |
43 | YXR | 0.603896 | 0.857143 |
44 | YXS | 0.603896 | 0.857143 |
45 | COK | 0.602649 | 0.922222 |
46 | 30N | 0.601351 | 0.864583 |
47 | ST9 | 0.601266 | 0.923077 |
48 | MFK | 0.601266 | 0.923077 |
49 | DCC | 0.601266 | 0.923077 |
50 | 5F9 | 0.601266 | 0.923077 |
51 | UCC | 0.601266 | 0.923077 |
52 | MYA | 0.601266 | 0.923077 |
53 | 1GZ | 0.6 | 0.933333 |
54 | MCA | 0.597403 | 0.955056 |
55 | CS8 | 0.59375 | 0.913043 |
56 | SOP | 0.592105 | 0.922222 |
57 | ACE MET LEU GLY PRO NH2 COA | 0.591398 | 0.94382 |
58 | HDC | 0.590062 | 0.923077 |
59 | IRC | 0.589744 | 0.954545 |
60 | COW | 0.589744 | 0.933333 |
61 | 2KQ | 0.589744 | 0.944444 |
62 | BYC | 0.589744 | 0.94382 |
63 | CMC | 0.588235 | 0.94382 |
64 | BCA | 0.585987 | 0.933333 |
65 | 2CP | 0.583333 | 0.933333 |
66 | YNC | 0.582822 | 0.933333 |
67 | FAM | 0.582781 | 0.901099 |
68 | COA | 0.581081 | 0.943182 |
69 | 0T1 | 0.581081 | 0.921348 |
70 | A1S | 0.580645 | 0.922222 |
71 | COF | 0.579618 | 0.902174 |
72 | DCA | 0.578231 | 0.9 |
73 | 4CA | 0.575949 | 0.912088 |
74 | CIC | 0.575 | 0.94382 |
75 | 2NE | 0.575 | 0.923077 |
76 | 1CV | 0.574074 | 0.965909 |
77 | 3CP | 0.56962 | 0.94382 |
78 | AMX | 0.569536 | 0.931818 |
79 | NMX | 0.567742 | 0.873684 |
80 | ETB | 0.567568 | 0.868132 |
81 | MRR | 0.567073 | 0.923077 |
82 | MRS | 0.567073 | 0.923077 |
83 | SCO | 0.565789 | 0.943182 |
84 | CMX | 0.565789 | 0.943182 |
85 | WCA | 0.564417 | 0.923077 |
86 | SCD | 0.564103 | 0.943182 |
87 | DAK | 0.563636 | 0.913043 |
88 | FCX | 0.562092 | 0.912088 |
89 | KGP | 0.56129 | 0.857143 |
90 | YZS | 0.56129 | 0.857143 |
91 | 4KX | 0.560976 | 0.913043 |
92 | 8Z2 | 0.560241 | 0.913043 |
93 | HAX | 0.558442 | 0.901099 |
94 | J5H | 0.554217 | 0.94382 |
95 | CAJ | 0.55414 | 0.922222 |
96 | 01K | 0.552941 | 0.922222 |
97 | 0FQ | 0.552147 | 0.922222 |
98 | 4CO | 0.552147 | 0.912088 |
99 | UOQ | 0.551515 | 0.902174 |
100 | NHM | 0.551515 | 0.902174 |
101 | NHW | 0.551515 | 0.902174 |
102 | CA6 | 0.551282 | 0.838384 |
103 | MCD | 0.551282 | 0.922222 |
104 | KGJ | 0.550633 | 0.864583 |
105 | 01A | 0.548781 | 0.882979 |
106 | 0ET | 0.548781 | 0.902174 |
107 | SO5 | 0.54717 | 0.867347 |
108 | LCV | 0.54717 | 0.867347 |
109 | NHQ | 0.544379 | 0.932584 |
110 | F8G | 0.540698 | 0.904255 |
111 | KGA | 0.540373 | 0.875 |
112 | HFQ | 0.538922 | 0.902174 |
113 | 1HA | 0.538012 | 0.923077 |
114 | YE1 | 0.5375 | 0.911111 |
115 | 7L1 | 0.535484 | 0.933333 |
116 | UCA | 0.533708 | 0.923077 |
117 | CA8 | 0.530864 | 0.857143 |
118 | COD | 0.530201 | 0.954023 |
119 | RMW | 0.52809 | 0.944444 |
120 | CO7 | 0.52795 | 0.94382 |
121 | COT | 0.522988 | 0.922222 |
122 | S0N | 0.518072 | 0.922222 |
123 | CA3 | 0.508475 | 0.922222 |
124 | CA5 | 0.502762 | 0.882979 |
125 | 93M | 0.502703 | 0.933333 |
126 | 93P | 0.5 | 0.933333 |
127 | 4BN | 0.476923 | 0.884211 |
128 | 5TW | 0.476923 | 0.884211 |
129 | OXT | 0.474227 | 0.904255 |
130 | N9V | 0.473684 | 0.912088 |
131 | JBT | 0.465 | 0.885417 |
132 | ATP A | 0.452055 | 0.781609 |
133 | ATP A A A | 0.452055 | 0.781609 |
134 | BSJ | 0.441624 | 0.913043 |
135 | UOC COA | 0.423313 | 0.733333 |
136 | PAP | 0.42029 | 0.761364 |
137 | ADP BMA | 0.408163 | 0.816092 |
138 | A3P | 0.407407 | 0.75 |
139 | AHZ | 0.406452 | 0.813187 |
140 | ATP MG | 0.4 | 0.790698 |
141 | ADP PO3 | 0.4 | 0.790698 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5wpj.bio1) has 56 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |