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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 | 6OXD | - | 5AD NJS | n/a | n/a |
2 | 6OXC | - | 5AD | C10 H13 N5 O3 | C[C@@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 6OXD | - | 5AD NJS | n/a | n/a |
2 | 6OXC | - | 5AD | C10 H13 N5 O3 | C[C@@H]1[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5AD NJS | 1 | 1 |
2 | COA FLC | 0.638158 | 0.923077 |
3 | BUA COA | 0.614907 | 0.923913 |
4 | HMG | 0.612121 | 0.945055 |
5 | 6NA COA | 0.596386 | 0.904255 |
6 | MYR COA | 0.585799 | 0.904255 |
7 | PLM COA | 0.585799 | 0.904255 |
8 | DAO COA | 0.585799 | 0.904255 |
9 | EO3 COA | 0.585799 | 0.904255 |
10 | DKA COA | 0.585799 | 0.904255 |
11 | DCR COA | 0.585799 | 0.904255 |
12 | X90 COA | 0.585799 | 0.904255 |
13 | ASP ASP ASP ILE NH2 CMC | 0.543478 | 0.913979 |
14 | ACE SER ASP ALY THR NH2 COA | 0.533333 | 0.913979 |
15 | MET VAL ASN ALA CMC | 0.507614 | 0.893617 |
16 | CCQ | 0.502825 | 0.895833 |
17 | ACE MET LEU GLY PRO NH2 COA | 0.490385 | 0.893617 |
18 | WCA | 0.486188 | 0.935484 |
19 | COO | 0.485714 | 0.934783 |
20 | 30N | 0.485207 | 0.84 |
21 | MC4 | 0.482955 | 0.946809 |
22 | FYN | 0.482558 | 0.913043 |
23 | DCA | 0.481928 | 0.87234 |
24 | 1GZ | 0.480226 | 0.924731 |
25 | ACO | 0.479532 | 0.904255 |
26 | FAM | 0.479532 | 0.873684 |
27 | DAK | 0.478261 | 0.925532 |
28 | 1VU | 0.477012 | 0.904255 |
29 | CO6 | 0.477012 | 0.913979 |
30 | CAO | 0.476471 | 0.884211 |
31 | COS | 0.476471 | 0.893617 |
32 | COA | 0.47619 | 0.913043 |
33 | 2CP | 0.474576 | 0.904255 |
34 | 2MC | 0.474286 | 0.93617 |
35 | 3KK | 0.473988 | 0.913979 |
36 | ETB | 0.473054 | 0.842105 |
37 | OXK | 0.471264 | 0.934783 |
38 | FCX | 0.47093 | 0.884211 |
39 | MCA | 0.468927 | 0.924731 |
40 | CAA | 0.468927 | 0.923913 |
41 | 0T1 | 0.467456 | 0.892473 |
42 | KFV | 0.463687 | 0.86 |
43 | HGG | 0.463687 | 0.934783 |
44 | 1HE | 0.463277 | 0.894737 |
45 | MLC | 0.463277 | 0.934783 |
46 | IVC | 0.463277 | 0.923913 |
47 | A1S | 0.463277 | 0.893617 |
48 | BCO | 0.463277 | 0.913979 |
49 | 3HC | 0.463277 | 0.923913 |
50 | SOP | 0.462857 | 0.893617 |
51 | COK | 0.462857 | 0.893617 |
52 | NMX | 0.460227 | 0.848485 |
53 | CMC | 0.460227 | 0.913979 |
54 | 8Z2 | 0.459893 | 0.905263 |
55 | HAX | 0.45977 | 0.873684 |
56 | HDC | 0.459459 | 0.894737 |
57 | 4KX | 0.459459 | 0.967391 |
58 | AMX | 0.459302 | 0.902174 |
59 | SCA | 0.458101 | 0.934783 |
60 | YXR | 0.458101 | 0.833333 |
61 | YXS | 0.458101 | 0.833333 |
62 | COD | 0.457831 | 0.902174 |
63 | SCD | 0.457627 | 0.913043 |
64 | MRR | 0.456989 | 0.894737 |
65 | MRS | 0.456989 | 0.894737 |
66 | SCO | 0.456647 | 0.913043 |
67 | CMX | 0.456647 | 0.913043 |
68 | 0ET | 0.456522 | 0.875 |
69 | COW | 0.455556 | 0.924731 |
70 | IRC | 0.455556 | 0.923913 |
71 | BYC | 0.455556 | 0.934783 |
72 | COF | 0.455556 | 0.875 |
73 | MCD | 0.454545 | 0.893617 |
74 | FAQ | 0.453039 | 0.934783 |
75 | BCA | 0.453039 | 0.924731 |
76 | 4CA | 0.453039 | 0.904255 |
77 | GRA | 0.450549 | 0.934783 |
78 | HXC | 0.450549 | 0.894737 |
79 | TGC | 0.448087 | 0.924731 |
80 | 01K | 0.447917 | 0.893617 |
81 | 2KQ | 0.447514 | 0.914894 |
82 | 3CP | 0.447514 | 0.913979 |
83 | KGJ | 0.446927 | 0.84 |
84 | KGP | 0.446328 | 0.833333 |
85 | YZS | 0.446328 | 0.833333 |
86 | CA6 | 0.446328 | 0.815534 |
87 | 1CV | 0.446237 | 0.934783 |
88 | 2NE | 0.445652 | 0.914894 |
89 | CIC | 0.445652 | 0.913979 |
90 | 1CZ | 0.445652 | 0.924731 |
91 | CO8 | 0.445652 | 0.894737 |
92 | YE1 | 0.444444 | 0.903226 |
93 | LCV | 0.444444 | 0.843137 |
94 | SO5 | 0.444444 | 0.843137 |
95 | NHW | 0.44385 | 0.875 |
96 | UOQ | 0.44385 | 0.875 |
97 | NHM | 0.44385 | 0.875 |
98 | UCC | 0.443243 | 0.894737 |
99 | ST9 | 0.443243 | 0.894737 |
100 | 5F9 | 0.443243 | 0.894737 |
101 | DCC | 0.443243 | 0.894737 |
102 | MYA | 0.443243 | 0.894737 |
103 | MFK | 0.443243 | 0.894737 |
104 | 93P | 0.442211 | 0.924731 |
105 | CAJ | 0.441341 | 0.893617 |
106 | KGA | 0.43956 | 0.85 |
107 | ATP A | 0.43949 | 0.758242 |
108 | ATP A A A | 0.43949 | 0.758242 |
109 | YNC | 0.439153 | 0.924731 |
110 | J5H | 0.439153 | 0.934783 |
111 | CS8 | 0.438503 | 0.885417 |
112 | 93M | 0.438424 | 0.924731 |
113 | N9V | 0.437838 | 0.904255 |
114 | 0FQ | 0.435484 | 0.913979 |
115 | 4CO | 0.435484 | 0.904255 |
116 | HFQ | 0.433862 | 0.894737 |
117 | 01A | 0.433155 | 0.876289 |
118 | NHQ | 0.432292 | 0.903226 |
119 | CA8 | 0.431694 | 0.851485 |
120 | S0N | 0.430108 | 0.913979 |
121 | RMW | 0.43 | 0.935484 |
122 | UCA | 0.427861 | 0.914894 |
123 | 1HA | 0.427835 | 0.914894 |
124 | CA3 | 0.426396 | 0.913979 |
125 | COT | 0.423469 | 0.913979 |
126 | F8G | 0.423469 | 0.957447 |
127 | CO7 | 0.420765 | 0.934783 |
128 | ADP BMA | 0.416667 | 0.791209 |
129 | 7L1 | 0.407821 | 0.904255 |
130 | PTJ | 0.402516 | 0.815217 |
131 | CA5 | 0.401961 | 0.876289 |
132 | JBT | 0.401826 | 0.878788 |
133 | DAL AMP | 0.4 | 0.78022 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6oxc.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |